54608-52-5 2-Hydrazinopyrazine

Introduction

CAS No. :	54608-52-5	MDL No. :	MFCD04114555
Formula :	C4H6N4	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	IVRLZJDPKUSDCF-UHFFFAOYSA-N
M.W :	110.12	Pubchem ID :	1487823
Synonyms :

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	29.24
TPSA :	63.83 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) :	-7.11 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.09
Log Po/w (XLOGP3) :	-0.19
Log Po/w (WLOGP) :	-0.43
Log Po/w (MLOGP) :	-1.17
Log Po/w (SILICOS-IT) :	-0.44
Consensus Log Po/w :	-0.43

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-0.89
Solubility :	14.1 mg/ml ; 0.128 mol/l
Class :	Very soluble
Log S (Ali) :	-0.69
Solubility :	22.3 mg/ml ; 0.202 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.28
Solubility :	5.75 mg/ml ; 0.0522 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.33

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362+P364-P403+P233-P501	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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