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119222-38-7 | 1H-1,2,3-Triazole-4-carboxamide, 5-amino-1-[(3-fluorophenyl)methyl]-
CAS No: 119222-38-7 Catalog No: AG000IET MDL No:
Product Description
Catalog Number:
AG000IET
Chemical Name:
1H-1,2,3-Triazole-4-carboxamide, 5-amino-1-[(3-fluorophenyl)methyl]-
CAS Number:
119222-38-7
Molecular Formula:
C10H10FN5O
Molecular Weight:
235.2177
IUPAC Name:
5-amino-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide
InChI:
InChI=1S/C10H10FN5O/c11-7-3-1-2-6(4-7)5-16-9(12)8(10(13)17)14-15-16/h1-4H,5,12H2,(H2,13,17)
InChI Key:
PPJSXEIGKDPRNI-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)Cn1nnc(c1N)C(=O)N
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.222g/mol
Monoisotopic Mass:
235.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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