4,5-diphenyltriazol-2-amine

C14H12N4 — CID 14173575

IUPAC4,5-diphenyltriazol-2-amine
SMILESNn1nc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C14H12N4/c15-18-16-13(11-7-3-1-4-8-11)14(17-18)12-9-5-2-6-10-12/h1-10H,15H2
InChIKeyZNEQWYIUGXQREX-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.33
Rot. Bonds2

About 4,5-diphenyltriazol-2-amine

4,5-diphenyltriazol-2-amine (PubChem CID 14173575) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 4,5-diphenyltriazol-2-amine.

Molecular Properties

Compound Name4,5-diphenyltriazol-2-amine
PubChem CID14173575
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name4,5-diphenyltriazol-2-amine
SMILESNn1nc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C14H12N4/c15-18-16-13(11-7-3-1-4-8-11)14(17-18)12-9-5-2-6-10-12/h1-10H,15H2
InChIKeyZNEQWYIUGXQREX-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyltriazol-2-amine?
The IUPAC name of 4,5-diphenyltriazol-2-amine (CID 14173575) is 4,5-diphenyltriazol-2-amine.
What is the SMILES notation for 4,5-diphenyltriazol-2-amine?
The canonical SMILES for 4,5-diphenyltriazol-2-amine is Nn1nc(-c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of 4,5-diphenyltriazol-2-amine?
The InChIKey is ZNEQWYIUGXQREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c15-18-16-13(11-7-3-1-4-8-11)14(17-18)12-9-5-2-6-10-12/h1-10H,15H2.
What are the key properties of 4,5-diphenyltriazol-2-amine?
4,5-diphenyltriazol-2-amine has a molecular weight of 236.28 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyltriazol-2-amine is sourced from PubChem (CID 14173575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).