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

C14H11FN4 — CID 110187296

IUPAC5-(4-fluorophenyl)-2-phenyl-1,2,4-triazol-3-amine
SMILESNc1nc(-c2ccc(F)cc2)nn1-c1ccccc1
InChIInChI=1S/C14H11FN4/c15-11-8-6-10(7-9-11)13-17-14(16)19(18-13)12-4-2-1-3-5-12/h1-9H,(H2,16,17,18)
InChIKeyFZPRVXHYWMRKQJ-UHFFFAOYSA-N
MW254.27 g/mol
LogP2.66
Rot. Bonds2

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

5-(4-fluorophenyl)-2-phenyl-1,2,4-triazol-3-amine (PubChem CID 110187296) has the molecular formula C14H11FN4 and a molecular weight of 254.27 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-phenyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-phenyl-1,2,4-triazol-3-amine
PubChem CID110187296
Molecular FormulaC14H11FN4
Molecular Weight254.27 g/mol
Exact Mass254.10
IUPAC Name5-(4-fluorophenyl)-2-phenyl-1,2,4-triazol-3-amine
SMILESNc1nc(-c2ccc(F)cc2)nn1-c1ccccc1
InChIInChI=1S/C14H11FN4/c15-11-8-6-10(7-9-11)13-17-14(16)19(18-13)12-4-2-1-3-5-12/h1-9H,(H2,16,17,18)
InChIKeyFZPRVXHYWMRKQJ-UHFFFAOYSA-N
XLogP2.66
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-phenyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(4-fluorophenyl)-2-phenyl-1,2,4-triazol-3-amine (CID 110187296) is 5-(4-fluorophenyl)-2-phenyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-2-phenyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(4-fluorophenyl)-2-phenyl-1,2,4-triazol-3-amine is Nc1nc(-c2ccc(F)cc2)nn1-c1ccccc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-phenyl-1,2,4-triazol-3-amine?
The InChIKey is FZPRVXHYWMRKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4/c15-11-8-6-10(7-9-11)13-17-14(16)19(18-13)12-4-2-1-3-5-12/h1-9H,(H2,16,17,18).
What are the key properties of 5-(4-fluorophenyl)-2-phenyl-1,2,4-triazol-3-amine?
5-(4-fluorophenyl)-2-phenyl-1,2,4-triazol-3-amine has a molecular weight of 254.27 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-phenyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 110187296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).