5-chloro-1H-1,2,4-triazol-3-amine

5-chloro-1H-1,2,4-triazol-3-amine

CAS: 130631-49-1

Formula: C2H3ClN4

SMILES: NC1=NNC(Cl)=N1

IUPAC: 5-chloro-1H-1,2,4-triazol-3-amine

InChI: InChI=1S/C2H3ClN4/c3-1-5-2(4)7-6-1/h(H3,4,5,6,7)

Composition: C (20.27%), H (2.55%), Cl (29.91%), N (47.27%)

Molar Mass: 118.52

Atom Count: 10

Heavy Atom Count: 7

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	118.0046238
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	CZYCHLFFXNRBGV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	28.59
Topological Polar Surface Area	67.59
Polarizability	9.54
Ring Count	1
Rotatable Bond Count	0

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