4-[(4-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine

C15H13FN4 — CID 118726300

IUPAC4-[(4-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine
SMILESNc1nnc(-c2ccccc2)n1Cc1ccc(F)cc1
InChIInChI=1S/C15H13FN4/c16-13-8-6-11(7-9-13)10-20-14(18-19-15(20)17)12-4-2-1-3-5-12/h1-9H,10H2,(H2,17,19)
InChIKeyJTUSDYFYYLLAOA-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.71
Rot. Bonds3

About 4-[(4-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine

4-[(4-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine (PubChem CID 118726300) has the molecular formula C15H13FN4 and a molecular weight of 268.30 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine
PubChem CID118726300
Molecular FormulaC15H13FN4
Molecular Weight268.30 g/mol
Exact Mass268.11
IUPAC Name4-[(4-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine
SMILESNc1nnc(-c2ccccc2)n1Cc1ccc(F)cc1
InChIInChI=1S/C15H13FN4/c16-13-8-6-11(7-9-13)10-20-14(18-19-15(20)17)12-4-2-1-3-5-12/h1-9H,10H2,(H2,17,19)
InChIKeyJTUSDYFYYLLAOA-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Triamiphos
CID 13943
5-Phenyl-4H-1,2,4-triazol-3-amine
CID 95778
3,5-Diphenyl-1H-1,2,4-triazole
CID 16260
1-Benzyl-5-phenyl-1H-tetraazole
CID 307907
4-Benzyl-5-phenyl-1,2,4-triazol-3-amine
CID 15563296
4-Methyl-3,5-bis[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 11682215
3,5-Diphenyl-4H-1,2,4-triazol-4-amine
CID 229821
5-(4-fluorophenyl)-4H-1,2,4-triazol-3-amine
CID 652295
1-methyl-3-phenyl-1H-1,2,4-triazol-5-amine
CID 12581307
3-(4-Butyl-2-methylphenyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 44448649
3-Phenyl-5-p-tolyl-S-triazole
CID 134528
1-Benzyl-3,5-diphenyl-1,2,4-triazole
CID 856237

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine (CID 118726300) is 4-[(4-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine is Nc1nnc(-c2ccccc2)n1Cc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine?
The InChIKey is JTUSDYFYYLLAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4/c16-13-8-6-11(7-9-13)10-20-14(18-19-15(20)17)12-4-2-1-3-5-12/h1-9H,10H2,(H2,17,19).
What are the key properties of 4-[(4-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine?
4-[(4-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine has a molecular weight of 268.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 118726300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).