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1H-1,2,3-benzotriazol-5-amine

1H-1,2,3-benzotriazol-5-amine

CAS: 3325-11-9

Formula: C6H6N4

SMILES: NC1=CC=C2NN=NC2=C1

IUPAC: 1H-1,2,3-benzotriazol-5-amine

InChI: InChI=1S/C6H6N4/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,7H2,(H,8,9,10)

Composition: C (53.72%), H (4.51%), N (41.77%)

Molar Mass: 134.142

Atom Count: 16

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 134.059246209
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey XSFHICWNEBCMNN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 38.76
Topological Polar Surface Area 67.59
Polarizability 14.9
Ring Count 2
Rotatable Bond Count 0

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