3-Cyanopyridazine

CAT: 0926-FC59735Size: 2 gDry Ice: NoHazardous: No

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CAT#:0926-FC59735Size:2 g

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CAS Number

53896-49-4

MDL Number

MFCD09881239

Smiles

C1=CC (=NN=C1) C#N

Controlled

Chemical Information

Pyridazine-3-carbonitrile

CAS Number	53896-49-4
PubChem CID	13642940
IUPAC Name	pyridazine-3-carbonitrile
Molecular Formula	C5H3N3
Molecular Weight	105.10
XLogP	-0.1
Topological Polar Surface Area	49.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	112

SMILES

C1=CC(=NN=C1)C#N

InChI

InChI=1S/C5H3N3/c6-4-5-2-1-3-7-8-5/h1-3H

InChIKey

PJESVVYWPFAJCS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 53896-49-4

CID: 13642940

Formula: C5H3N3

MW: 105.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	105.10
XLogP3	-0.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	105.032697108
Monoisotopic Mass	105.032697108
Topological Polar Surface Area	49.6 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	112
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
YKC61781-01	Methyl 6-cyanopyridazine-3-carboxylate
DXC59763-01	5-Cyanopyridine-3-sulfonamide
MLC55029-01	2-Cyanopyridine-3-sulfonamide
FB08379-01	4-Bromo-3-cyanopyridine
BAC27074-01	3-Cyanopyridine-2-sulfonamide
DMB13932-01	6-Cyanopyridine-3-sulfonamide
FC20666-01	6-Cyanopyridine-3-sulfonyl chloride
ZZB85480-01	3-Cyanopyridine-2-sulfonyl chloride
FC10589-01	5-Cyanopyridine-3-sulfonyl chloride
CIB61651-01	4-Cyanopyridine-3-carboxylic acid

Catalog	Name
TRC-A605213-50MG	3-amino-6-cyanopyridazine
sc-277331	4-Cyanopyridazine
PC6825	3,3,3-Trifluoropropyl 3,3,3-trifluoropropanoate
PC7820FJ-01	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
NU-456L	3',3',3'-cAAG
sc-261129	3,3,3-Trifluoropropionitrile
PC1007482-01	3,3,3-Trifluoropropanehydrazide
PC4452-01	3,3,3-Trifluoropropylmethyldimethoxysilane
PC4603-01	3,3,3-Trifluoropropylamine
OR1043029-01	3,3',3''-Nitrilotripropanamide