3,5-diethyl-1H-1,2,4-triazole hydrochloride

3,5-diethyl-1H-1,2,4-triazole hydrochloride

CAS: 1609403-80-6

Formula: C6H12ClN3

SMILES: Cl.CCC1=NC(CC)=NN1

IUPAC: 3,5-diethyl-1H-1,2,4-triazole hydrochloride

InChI: InChI=1S/C6H11N3.ClH/c1-3-5-7-6(4-2)9-8-5;/h3-4H2,1-2H3,(H,7,8,9);1H

Composition: C (44.59%), H (7.48%), Cl (21.93%), N (26.00%)

Molar Mass: 161.63

Atom Count: 22

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	161.0719751
Formal Charge	0
FSP3	0.67
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	CRRTUFZJQZJKEO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.24
Topological Polar Surface Area	41.57
Polarizability	13.46
Ring Count	1
Rotatable Bond Count	2

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95%	<4 Days	1609403-80-6		$58.65-$292.10$58.65$124.20$292.10