1-benzyl-5-phenyl-1,2,4-triazol-3-amine

C15H14N4 — CID 15563282

IUPAC1-benzyl-5-phenyl-1,2,4-triazol-3-amine
SMILESNc1nc(-c2ccccc2)n(Cc2ccccc2)n1
InChIInChI=1S/C15H14N4/c16-15-17-14(13-9-5-2-6-10-13)19(18-15)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,16,18)
InChIKeyQEAVWKLGJOOFNZ-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.58
Rot. Bonds3

About 1-benzyl-5-phenyl-1,2,4-triazol-3-amine

1-benzyl-5-phenyl-1,2,4-triazol-3-amine (PubChem CID 15563282) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-benzyl-5-phenyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-benzyl-5-phenyl-1,2,4-triazol-3-amine
PubChem CID15563282
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name1-benzyl-5-phenyl-1,2,4-triazol-3-amine
SMILESNc1nc(-c2ccccc2)n(Cc2ccccc2)n1
InChIInChI=1S/C15H14N4/c16-15-17-14(13-9-5-2-6-10-13)19(18-15)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,16,18)
InChIKeyQEAVWKLGJOOFNZ-UHFFFAOYSA-N
XLogP2.58
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-phenyl-1,2,4-triazol-3-amine?
The IUPAC name of 1-benzyl-5-phenyl-1,2,4-triazol-3-amine (CID 15563282) is 1-benzyl-5-phenyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-benzyl-5-phenyl-1,2,4-triazol-3-amine?
The canonical SMILES for 1-benzyl-5-phenyl-1,2,4-triazol-3-amine is Nc1nc(-c2ccccc2)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-5-phenyl-1,2,4-triazol-3-amine?
The InChIKey is QEAVWKLGJOOFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c16-15-17-14(13-9-5-2-6-10-13)19(18-15)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,16,18).
What are the key properties of 1-benzyl-5-phenyl-1,2,4-triazol-3-amine?
1-benzyl-5-phenyl-1,2,4-triazol-3-amine has a molecular weight of 250.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-phenyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 15563282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).