6761-52-0 3-Aminopyrazine-2-carbohydrazide

Introduction

CAS No. :	6761-52-0	MDL No. :	MFCD00115105
Formula :	C5H7N5O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	NSBRFKAXSNUXQO-UHFFFAOYSA-N
M.W :	153.14	Pubchem ID :	1240109
Synonyms :

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	2
Num. H-bond acceptors :	4.0
Num. H-bond donors :	3.0
Molar Refractivity :	37.33
TPSA :	106.92 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-8.05 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.63
Log Po/w (XLOGP3) :	-1.15
Log Po/w (WLOGP) :	-1.33
Log Po/w (MLOGP) :	-1.82
Log Po/w (SILICOS-IT) :	-1.38
Consensus Log Po/w :	-1.01

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.34
Solubility :	70.5 mg/ml ; 0.461 mol/l
Class :	Very soluble
Log S (Ali) :	-0.6
Solubility :	38.2 mg/ml ; 0.249 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.92
Solubility :	18.5 mg/ml ; 0.121 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.03

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

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