[1,2,4]Triazolo[1,5-a]pyridin-7-ol

Introduction

CAS No. :	1033810-70-6	MDL No. :	MFCD22394734
Formula :	C6H5N3O	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	BABOSZMRHSQJCE-UHFFFAOYSA-N
M.W :	135.12	Pubchem ID :	66937011
Synonyms :

Physicochemical Properties

Num. heavy atoms :	10
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 :	35.01
TPSA :	50.42 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) :	-6.85 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.2
Log Po/w (XLOGP3) :	0.39
Log Po/w (WLOGP) :	0.43
Log Po/w (MLOGP) :	-0.02
Log Po/w (SILICOS-IT) :	0.04
Consensus Log Po/w :	0.41

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.59
Solubility :	3.48 mg/ml ; 0.0257 mol/l
Class :	Very soluble
Log S (Ali) :	-1.01
Solubility :	13.1 mg/ml ; 0.0967 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.11
Solubility :	10.6 mg/ml ; 0.0783 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.59

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:
GHS Pictogram:

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