6-Hydrazinyl-1H-indazole tetrahydrochloride

Introduction

CAS No. :	1266362-60-0	MDL No. :	MFCD30189418
Formula :	C7H12Cl4N4	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	IMYGIEFNANQWSN-UHFFFAOYSA-N
M.W :	294.01	Pubchem ID :	122129646
Synonyms :

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	3.0
Molar Refractivity :	71.16
TPSA :	66.73 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-4.78 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	4.67
Log Po/w (WLOGP) :	3.87
Log Po/w (MLOGP) :	1.72
Log Po/w (SILICOS-IT) :	0.53
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) :	-4.98
Solubility :	0.00306 mg/ml ; 0.0000104 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.8
Solubility :	0.000467 mg/ml ; 0.00000159 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-2.58
Solubility :	0.768 mg/ml ; 0.00261 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.87

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

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