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5-Chloro-6-(2H-1,2,3-triazol-2-yl)pyridin-3-amine

5-Chloro-6-(2H-1,2,3-triazol-2-yl)pyridin-3-amine

CAS No. :1832583-43-3MDL No. :MFCD29921292Formula :C7H6ClN5Boiling Point :No data availableLinear Structure Formula :-In

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CAS No. :1832583-43-3 Brand :Qitai
Formula :C7H6ClN5 M.W :195.61

Introduction

CAS No. :1832583-43-3 MDL No. :MFCD29921292
Formula : C7H6ClN5 Boiling Point : No data available
Linear Structure Formula :- InChI Key :SPVSXXFBKUTYGT-UHFFFAOYSA-N
M.W : 195.61 Pubchem ID :118540093
Synonyms :

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 11
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 48.57
TPSA : 69.62 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.71 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.11
Log Po/w (XLOGP3) : 1.11
Log Po/w (WLOGP) : 0.91
Log Po/w (MLOGP) : -0.21
Log Po/w (SILICOS-IT) : 0.44
Consensus Log Po/w : 0.67

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.31
Solubility : 0.953 mg/ml ; 0.00487 mol/l
Class : Soluble
Log S (Ali) : -2.17
Solubility : 1.34 mg/ml ; 0.00684 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.44
Solubility : 0.705 mg/ml ; 0.00361 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.07
Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram: