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6,8-Dibromo-[1,2,4]triazolo[1,5-a]pyridine

6,8-Dibromo-[1,2,4]triazolo[1,5-a]pyridine

CAS No. :1310680-10-4MDL No. :MFCD22124121Formula :C6H3Br2N3Boiling Point :No data availableLinear Structure Formula :-I

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CAS No. :1310680-10-4 Brand :Qitai
Formula :C6H3Br2N3 M.W :276.92

Introduction

CAS No. :1310680-10-4 MDL No. :MFCD22124121
Formula : C6H3Br2N3 Boiling Point : No data available
Linear Structure Formula :- InChI Key :RLAPLZDVPSZKJX-UHFFFAOYSA-N
M.W : 276.92 Pubchem ID :71463749
Synonyms :

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 48.39
TPSA : 30.19 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.48 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.08
Log Po/w (XLOGP3) : 2.13
Log Po/w (WLOGP) : 2.25
Log Po/w (MLOGP) : 2.51
Log Po/w (SILICOS-IT) : 1.84
Consensus Log Po/w : 2.16

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.5
Solubility : 0.0867 mg/ml ; 0.000313 mol/l
Class : Soluble
Log S (Ali) : -2.4
Solubility : 1.11 mg/ml ; 0.00402 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.42
Solubility : 0.106 mg/ml ; 0.000384 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 1.75
Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

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