1,5-diphenyl-1,2,4-triazol-3-amine

C14H12N4 — CID 14451471

IUPAC1,5-diphenyl-1,2,4-triazol-3-amine
SMILESNc1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C14H12N4/c15-14-16-13(11-7-3-1-4-8-11)18(17-14)12-9-5-2-6-10-12/h1-10H,(H2,15,17)
InChIKeyHNMMJXSXQSISNR-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.52
Rot. Bonds2

About 1,5-diphenyl-1,2,4-triazol-3-amine

1,5-diphenyl-1,2,4-triazol-3-amine (PubChem CID 14451471) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 1,5-diphenyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1,5-diphenyl-1,2,4-triazol-3-amine
PubChem CID14451471
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name1,5-diphenyl-1,2,4-triazol-3-amine
SMILESNc1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C14H12N4/c15-14-16-13(11-7-3-1-4-8-11)18(17-14)12-9-5-2-6-10-12/h1-10H,(H2,15,17)
InChIKeyHNMMJXSXQSISNR-UHFFFAOYSA-N
XLogP2.52
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyl-1,2,4-triazol-3-amine?
The IUPAC name of 1,5-diphenyl-1,2,4-triazol-3-amine (CID 14451471) is 1,5-diphenyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 1,5-diphenyl-1,2,4-triazol-3-amine?
The canonical SMILES for 1,5-diphenyl-1,2,4-triazol-3-amine is Nc1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 1,5-diphenyl-1,2,4-triazol-3-amine?
The InChIKey is HNMMJXSXQSISNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c15-14-16-13(11-7-3-1-4-8-11)18(17-14)12-9-5-2-6-10-12/h1-10H,(H2,15,17).
What are the key properties of 1,5-diphenyl-1,2,4-triazol-3-amine?
1,5-diphenyl-1,2,4-triazol-3-amine has a molecular weight of 236.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 14451471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).