(1,5-diphenyltriazol-4-yl)-phenylmethanone

C21H15N3O — CID 132534845

IUPAC(1,5-diphenyltriazol-4-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1nnn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C21H15N3O/c25-21(17-12-6-2-7-13-17)19-20(16-10-4-1-5-11-16)24(23-22-19)18-14-8-3-9-15-18/h1-15H
InChIKeyXCEJGHDHEWKVIR-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.17
Rot. Bonds4

About (1,5-diphenyltriazol-4-yl)-phenylmethanone

(1,5-diphenyltriazol-4-yl)-phenylmethanone (PubChem CID 132534845) has the molecular formula C21H15N3O and a molecular weight of 325.37 g/mol. Its IUPAC name is (1,5-diphenyltriazol-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(1,5-diphenyltriazol-4-yl)-phenylmethanone
PubChem CID132534845
Molecular FormulaC21H15N3O
Molecular Weight325.37 g/mol
Exact Mass325.12
IUPAC Name(1,5-diphenyltriazol-4-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1nnn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C21H15N3O/c25-21(17-12-6-2-7-13-17)19-20(16-10-4-1-5-11-16)24(23-22-19)18-14-8-3-9-15-18/h1-15H
InChIKeyXCEJGHDHEWKVIR-UHFFFAOYSA-N
XLogP4.17
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,5-diphenyltriazol-4-yl)-phenylmethanone?
The IUPAC name of (1,5-diphenyltriazol-4-yl)-phenylmethanone (CID 132534845) is (1,5-diphenyltriazol-4-yl)-phenylmethanone.
What is the SMILES notation for (1,5-diphenyltriazol-4-yl)-phenylmethanone?
The canonical SMILES for (1,5-diphenyltriazol-4-yl)-phenylmethanone is O=C(c1ccccc1)c1nnn(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of (1,5-diphenyltriazol-4-yl)-phenylmethanone?
The InChIKey is XCEJGHDHEWKVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O/c25-21(17-12-6-2-7-13-17)19-20(16-10-4-1-5-11-16)24(23-22-19)18-14-8-3-9-15-18/h1-15H.
What are the key properties of (1,5-diphenyltriazol-4-yl)-phenylmethanone?
(1,5-diphenyltriazol-4-yl)-phenylmethanone has a molecular weight of 325.37 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-diphenyltriazol-4-yl)-phenylmethanone is sourced from PubChem (CID 132534845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).