3-Chloro-6-hydrazinylpyridazine

Introduction

CAS No. :	17284-97-8	MDL No. :	MFCD00051740
Formula :	C4H5ClN4	Boiling Point :	-
Linear Structure Formula :	NHNH2C4H2N2Cl	InChI Key :	FXYQRYGWWZKUFV-UHFFFAOYSA-N
M.W :	144.56	Pubchem ID :	100787
Synonyms :		Chemical Name :	3-Chloro-6-hydrazinylpyridazine

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) :	-6.91 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.96
Log Po/w (XLOGP3) :	0.38
Log Po/w (WLOGP) :	0.22
Log Po/w (MLOGP) :	0.32
Log Po/w (SILICOS-IT) :	0.21
Consensus Log Po/w :	0.42

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.4
Solubility :	5.72 mg/ml ; 0.0395 mol/l
Class :	Very soluble
Log S (Ali) :	-1.29
Solubility :	7.48 mg/ml ; 0.0518 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 :	2.2

Signal Word:	Danger	Class:	N/A
Precautionary Statements:	P280-P301+P312+P330-P302+P352-P305+P351+P338+P310	UN#:	N/A
Hazard Statements:	H302-H317-H318	Packing Group:	N/A
GHS Pictogram:

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine