Text Search
Structure Search

1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-amine

1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-amine

CAS: 832740-71-3

Formula: C9H9FN4

SMILES: NC1=NN(CC2=CC=CC(F)=C2)C=N1

IUPAC: 1-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-amine

InChI: InChI=1S/C9H9FN4/c10-8-3-1-2-7(4-8)5-14-6-12-9(11)13-14/h1-4,6H,5H2,(H2,11,13)

Composition: C (56.24%), H (4.72%), F (9.88%), N (29.15%)

Molar Mass: 192.197

Atom Count: 23

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 192.081124469
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey ZPGFBVGIPURWSG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.61
Topological Polar Surface Area 56.73
Polarizability 18.45
Ring Count 2
Rotatable Bond Count 2

Suppliers

No suppliers are currently stocking this item.