768-05-8 Pyrazinoic acid hydrazide

Introduction

CAS No. :	768-05-8	MDL No. :	MFCD00778762
Formula :	C5H6N4O	Boiling Point :	-
Linear Structure Formula :	C4H3N2CONHNH2	InChI Key :	OHFIJHDYYOCZME-UHFFFAOYSA-N
M.W :	138.13	Pubchem ID :	258796
Synonyms :		Chemical Name :	Pyrazinoic acid hydrazide

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	2
Num. H-bond acceptors :	4.0
Num. H-bond donors :	2.0
Molar Refractivity :	32.93
TPSA :	80.9 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) :	-7.82 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.7
Log Po/w (XLOGP3) :	-0.95
Log Po/w (WLOGP) :	-0.92
Log Po/w (MLOGP) :	-1.68
Log Po/w (SILICOS-IT) :	-0.69
Consensus Log Po/w :	-0.71

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.41
Solubility :	53.8 mg/ml ; 0.389 mol/l
Class :	Very soluble
Log S (Ali) :	-0.26
Solubility :	75.2 mg/ml ; 0.544 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.26
Solubility :	7.5 mg/ml ; 0.0543 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 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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