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[ CAS No. 273-34-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 273-34-7
Chemical Structure| 273-34-7
Structure of 273-34-7 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 273-34-7 ]

Related Doc. of [ 273-34-7 ]

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Product Details of [ 273-34-7 ]

CAS No. :273-34-7 MDL No. :MFCD01659957
Formula : C5H4N4 Boiling Point : No data available
Linear Structure Formula :- InChI Key :VQNDBXJTIJKJPV-UHFFFAOYSA-N
M.W : 120.11 Pubchem ID :136085
Synonyms :

Calculated chemistry of [ 273-34-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 31.68
TPSA : 54.46 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.78 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.66
Log Po/w (XLOGP3) : 0.36
Log Po/w (WLOGP) : 0.35
Log Po/w (MLOGP) : 0.15
Log Po/w (SILICOS-IT) : 1.23
Consensus Log Po/w : 0.55

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.55
Solubility : 3.37 mg/ml ; 0.0281 mol/l
Class : Very soluble
Log S (Ali) : -1.07
Solubility : 10.3 mg/ml ; 0.0854 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.12
Solubility : 0.917 mg/ml ; 0.00764 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.74

Safety of [ 273-34-7 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 273-34-7 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 273-34-7 ]

[ 273-34-7 ] Synthesis Path-Downstream   1~15

  • 1
  • [ 6972-27-6 ]
  • [ 273-34-7 ]
  • [ 133116-60-6 ]
  • 2
  • [ 541-41-3 ]
  • [ 273-34-7 ]
  • [ 99315-06-7 ]
  • [ 99315-09-0 ]
  • 3
  • [ 273-34-7 ]
  • [ 79-22-1 ]
  • [ 99315-05-6 ]
  • [ 99315-08-9 ]
  • 4
  • [ 53-84-9 ]
  • [ 273-34-7 ]
  • C20H25N9O13P2 [ No CAS ]
  • C20H25N9O13P2 [ No CAS ]
  • 5
  • [ 273-34-7 ]
  • [ 21279-77-6 ]
  • 2-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}-2H-[1,2,3]triazolo[4,5-b]pyridine [ No CAS ]
  • 3-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}-3H-[1,2,3]triazolo[4,5-b]pyridine [ No CAS ]
  • 1-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}-1H-[1,2,3]triazolo[4,5-b]pyridine [ No CAS ]
  • 6
  • [ 5470-18-8 ]
  • [ 273-34-7 ]
  • 1-(3-Nitro-pyridin-2-yl)-1H-[1,2,3]triazolo[4,5-b]pyridine [ No CAS ]
  • 3-(3-Nitro-pyridin-2-yl)-3H-[1,2,3]triazolo[4,5-b]pyridine [ No CAS ]
  • 7
  • [ 13091-23-1 ]
  • [ 273-34-7 ]
  • [ 201029-08-5 ]
  • 10
  • [ 273-34-7 ]
  • [ 609342-43-0 ]
  • (1S,2R,3R,4S,6R)-4,6-Diamino-3-([1,2,3]triazolo[4,5-b]pyridin-1-ylmethoxy)-cyclohexane-1,2-diol [ No CAS ]
  • (1S,2R,3R,4S,6R)-4,6-Diamino-3-([1,2,3]triazolo[4,5-b]pyridin-2-ylmethoxy)-cyclohexane-1,2-diol [ No CAS ]
  • (1S,2R,3R,4S,6R)-4,6-Diamino-3-([1,2,3]triazolo[4,5-b]pyridin-3-ylmethoxy)-cyclohexane-1,2-diol [ No CAS ]
  • 11
  • [ 273-34-7 ]
  • [ 609342-43-0 ]
  • (1S,2R,3R,4S,6R)-4,6-Diazido-3-([1,2,3]triazolo[4,5-b]pyridin-2-ylmethoxy)-cyclohexane-1,2-diol [ No CAS ]
  • (1S,2R,3R,4S,6R)-4,6-Diazido-3-([1,2,3]triazolo[4,5-b]pyridin-3-ylmethoxy)-cyclohexane-1,2-diol [ No CAS ]
  • (1S,2R,3R,4S,6R)-4,6-Diazido-3-([1,2,3]triazolo[4,5-b]pyridin-1-ylmethoxy)-cyclohexane-1,2-diol [ No CAS ]
  • 12
  • [ 273-34-7 ]
  • [ 609342-43-0 ]
  • [ 609342-54-3 ]
  • 13
  • [ 273-34-7 ]
  • (1S,2R,3R,4S,6R)-4,6-Diamino-3-([1,2,3]triazolo[4,5-b]pyridin-3-ylmethoxy)-cyclohexane-1,2-diol [ No CAS ]
  • 14
  • [ 273-34-7 ]
  • (1S,2R,3R,4S,6R)-4,6-Diazido-3-([1,2,3]triazolo[4,5-b]pyridin-3-ylmethoxy)-cyclohexane-1,2-diol [ No CAS ]
  • 15
  • [ 273-34-7 ]
  • pyrido[2'',3'':5',4'][1,2,3]triazolo[2',3':2,3][1,2,3]triazolo[4,5-b]pyridin-6-ium inner salt [ No CAS ]
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