63286-28-2 2-Chloro-3-hydrazinylpyrazine

Introduction

CAS No. :	63286-28-2	MDL No. :	MFCD08272804
Formula :	C4H5ClN4	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	PUUGNIKJWZNTBK-UHFFFAOYSA-N
M.W :	144.56	Pubchem ID :	321430
Synonyms :

Physicochemical Properties

Num. heavy atoms :	9
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 :	34.25
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) :	-6.96 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.93
Log Po/w (XLOGP3) :	0.31
Log Po/w (WLOGP) :	0.22
Log Po/w (MLOGP) :	-0.49
Log Po/w (SILICOS-IT) :	0.21
Consensus Log Po/w :	0.24

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.36
Solubility :	6.33 mg/ml ; 0.0438 mol/l
Class :	Very soluble
Log S (Ali) :	-1.21
Solubility :	8.85 mg/ml ; 0.0612 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.94
Solubility :	1.67 mg/ml ; 0.0115 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.36

Signal Word:	Danger	Class:	6.1
Precautionary Statements:	P280-P301+P310+P330-P302+P352-P305+P351+P338+P310	UN#:	2811
Hazard Statements:	H301-H315-H318-H335	Packing Group:	Ⅲ
GHS Pictogram:

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