4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carbonitrile hydrochloride

4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carbonitrile hydrochloride

CAS: 1268983-06-7

Formula: C8H11ClN4

SMILES: Cl.N#CC1=NN2CCCNCC2=C1

IUPAC: 4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carbonitrile hydrochloride

InChI: InChI=1S/C8H10N4.ClH/c9-5-7-4-8-6-10-2-1-3-12(8)11-7;/h4,10H,1-3,6H2;1H

Composition: C (48.37%), H (5.58%), Cl (17.85%), N (28.20%)

Molar Mass: 198.65

Atom Count: 24

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	198.0672241
Formal Charge	0
FSP3	0.5
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	JGJHBXBQJIUNBY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.33
Topological Polar Surface Area	53.64
Polarizability	17.06
Ring Count	2
Rotatable Bond Count	0

Suppliers

ChemBridge Corp.

Supplier Profile

Purity	LeadTime	CAS		UnitPrice
95%	<4 Days	1268983-06-7		Quote Only