3-bromo-5-cyclopropyl-1H-1,2,4-triazole

3-bromo-5-cyclopropyl-1H-1,2,4-triazole

CAS: 82767-64-4

Formula: C5H6BrN3

SMILES: BrC1=NNC(=N1)C1CC1

IUPAC: 3-bromo-5-cyclopropyl-1H-1,2,4-triazole

InChI: InChI=1S/C5H6BrN3/c6-5-7-4(8-9-5)3-1-2-3/h3H,1-2H2,(H,7,8,9)

Composition: C (31.94%), H (3.22%), Br (42.50%), N (22.35%)

Molar Mass: 188.028

Atom Count: 15

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	186.97451
Formal Charge	0
FSP3	0.6
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	CWTBMXDHWRHCQT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.86
Topological Polar Surface Area	41.57
Polarizability	14.1
Ring Count	2
Rotatable Bond Count	1

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