5-phenyl-2-(4-phenylphenyl)-4H-1,2,4-triazol-3-one

C20H15N3O — CID 135949977

IUPAC5-phenyl-2-(4-phenylphenyl)-4H-1,2,4-triazol-3-one
SMILESO=c1[nH]c(-c2ccccc2)nn1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H15N3O/c24-20-21-19(17-9-5-2-6-10-17)22-23(20)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H,(H,21,22,24)
InChIKeyHONQHFAQBIMKBW-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.89
Rot. Bonds3

About 5-phenyl-2-(4-phenylphenyl)-4H-1,2,4-triazol-3-one

5-phenyl-2-(4-phenylphenyl)-4H-1,2,4-triazol-3-one (PubChem CID 135949977) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-phenyl-2-(4-phenylphenyl)-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-phenyl-2-(4-phenylphenyl)-4H-1,2,4-triazol-3-one
PubChem CID135949977
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name5-phenyl-2-(4-phenylphenyl)-4H-1,2,4-triazol-3-one
SMILESO=c1[nH]c(-c2ccccc2)nn1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H15N3O/c24-20-21-19(17-9-5-2-6-10-17)22-23(20)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H,(H,21,22,24)
InChIKeyHONQHFAQBIMKBW-UHFFFAOYSA-N
XLogP3.89
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(4-phenylphenyl)-4H-1,2,4-triazol-3-one?
The IUPAC name of 5-phenyl-2-(4-phenylphenyl)-4H-1,2,4-triazol-3-one (CID 135949977) is 5-phenyl-2-(4-phenylphenyl)-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 5-phenyl-2-(4-phenylphenyl)-4H-1,2,4-triazol-3-one?
The canonical SMILES for 5-phenyl-2-(4-phenylphenyl)-4H-1,2,4-triazol-3-one is O=c1[nH]c(-c2ccccc2)nn1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-phenyl-2-(4-phenylphenyl)-4H-1,2,4-triazol-3-one?
The InChIKey is HONQHFAQBIMKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c24-20-21-19(17-9-5-2-6-10-17)22-23(20)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H,(H,21,22,24).
What are the key properties of 5-phenyl-2-(4-phenylphenyl)-4H-1,2,4-triazol-3-one?
5-phenyl-2-(4-phenylphenyl)-4H-1,2,4-triazol-3-one has a molecular weight of 313.36 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(4-phenylphenyl)-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 135949977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).