1-Hydrazinylphthalazine hydrochloride

Introduction

CAS No. :	304-20-1	MDL No. :	MFCD00135998
Formula :	C8H9ClN4	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	ZUXNZUWOTSUBMN-UHFFFAOYSA-N
M.W :	196.64	Pubchem ID :	9351
Synonyms :	Hydralazine (hydrochloride);1-Hydrazinophthalazine;Nepresol;mono-Hydrochloride, Hydralazine;Hydralazine chloride;Apresoline;Aiselazine;1-Hydrazinophthalazine hydrochloride;Hydralazine hydrochloride	Chemical Name :	1-Hydrazinylphthalazine hydrochloride

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	10
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	53.71
TPSA :	63.83 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) :	-6.22 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	1.8
Log Po/w (WLOGP) :	1.53
Log Po/w (MLOGP) :	1.49
Log Po/w (SILICOS-IT) :	0.43
Consensus Log Po/w :	1.05

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.7
Solubility :	0.396 mg/ml ; 0.00201 mol/l
Class :	Soluble
Log S (Ali) :	-2.76
Solubility :	0.342 mg/ml ; 0.00174 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.01
Solubility :	0.193 mg/ml ; 0.000979 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.05

Signal Word:	Danger	Class:	6.1
Precautionary Statements:	P201-P202-P264-P270-P281-P301+P310-P308+P313-P330-P405-P501	UN#:	2811
Hazard Statements:	H301-H351-H361	Packing Group:	Ⅲ
GHS Pictogram:

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