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

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

CAS: 141831-71-2

Formula: C5H8BrN3

SMILES: CCCC1=NC(Br)=NN1

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

InChI: InChI=1S/C5H8BrN3/c1-2-3-4-7-5(6)9-8-4/h2-3H2,1H3,(H,7,8,9)

Composition: C (31.60%), H (4.24%), Br (42.05%), N (22.11%)

Molar Mass: 190.044

Atom Count: 17

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	188.99016
Formal Charge	0
FSP3	0.6
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QDVJLWXXTLKOGU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.69
Topological Polar Surface Area	41.57
Polarizability	14.78
Ring Count	1
Rotatable Bond Count	2

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