[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine

C15H13FN4 — CID 115943885

IUPAC[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine
SMILESNCc1nnc(-c2cccc(F)c2)n1-c1ccccc1
InChIInChI=1S/C15H13FN4/c16-12-6-4-5-11(9-12)15-19-18-14(10-17)20(15)13-7-2-1-3-8-13/h1-9H,10,17H2
InChIKeyVSCYVXWSNIMGLV-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.53
Rot. Bonds3

About [5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine

[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 115943885) has the molecular formula C15H13FN4 and a molecular weight of 268.30 g/mol. Its IUPAC name is [5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine
PubChem CID115943885
Molecular FormulaC15H13FN4
Molecular Weight268.30 g/mol
Exact Mass268.11
IUPAC Name[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine
SMILESNCc1nnc(-c2cccc(F)c2)n1-c1ccccc1
InChIInChI=1S/C15H13FN4/c16-12-6-4-5-11(9-12)15-19-18-14(10-17)20(15)13-7-2-1-3-8-13/h1-9H,10,17H2
InChIKeyVSCYVXWSNIMGLV-UHFFFAOYSA-N
XLogP2.53
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2,6-difluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine
CID 115943829
[5-(3-chloro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine
CID 115943875
3-(3-bromo-5-fluorophenyl)-5-(bromomethyl)-4-phenyl-1,2,4-triazole
CID 115398787
[5-(3-fluoro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395836
3-benzylsulfanyl-5-(3-fluorophenyl)-4-(4-fluorophenyl)-1,2,4-triazole
CID 82017658
3-chloro-4-(3-fluorophenyl)-5-phenyl-1,2,4-triazole
CID 63384103
[5-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395862
3,5-bis(3-methylphenyl)-4-phenyl-1,2,4-triazole
CID 58390339
[5-(2-chloro-3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine
CID 115943836
3-[5-(bromomethyl)-4-phenyl-1,2,4-triazol-3-yl]benzonitrile
CID 115398767
(4,5-diphenyl-1,2,4-triazol-3-yl)methyl (Z)-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)prop-2-enoate
CID 167807303
3,5-bis(3-iodophenyl)-4-phenyl-1,2,4-triazole
CID 153407189

Frequently Asked Questions

What is the IUPAC name of [5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine (CID 115943885) is [5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine is NCc1nnc(-c2cccc(F)c2)n1-c1ccccc1.
What is the InChIKey of [5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is VSCYVXWSNIMGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4/c16-12-6-4-5-11(9-12)15-19-18-14(10-17)20(15)13-7-2-1-3-8-13/h1-9H,10,17H2.
What are the key properties of [5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine?
[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 268.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 115943885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).