4-(4-methoxy-2-phenylphenyl)-2H-triazin-5-one

C16H13N3O2 — CID 174944879

IUPAC4-(4-methoxy-2-phenylphenyl)-2H-triazin-5-one
SMILESCOc1ccc(-c2n[nH]ncc2=O)c(-c2ccccc2)c1
InChIInChI=1S/C16H13N3O2/c1-21-12-7-8-13(16-15(20)10-17-19-18-16)14(9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,20)
InChIKeySDALKCVWIZKAHW-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.51
Rot. Bonds3

About 4-(4-methoxy-2-phenylphenyl)-2H-triazin-5-one

4-(4-methoxy-2-phenylphenyl)-2H-triazin-5-one (PubChem CID 174944879) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-(4-methoxy-2-phenylphenyl)-2H-triazin-5-one.

Molecular Properties

Compound Name4-(4-methoxy-2-phenylphenyl)-2H-triazin-5-one
PubChem CID174944879
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name4-(4-methoxy-2-phenylphenyl)-2H-triazin-5-one
SMILESCOc1ccc(-c2n[nH]ncc2=O)c(-c2ccccc2)c1
InChIInChI=1S/C16H13N3O2/c1-21-12-7-8-13(16-15(20)10-17-19-18-16)14(9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,20)
InChIKeySDALKCVWIZKAHW-UHFFFAOYSA-N
XLogP2.51
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-phenylphenyl)-2H-triazin-5-one?
The IUPAC name of 4-(4-methoxy-2-phenylphenyl)-2H-triazin-5-one (CID 174944879) is 4-(4-methoxy-2-phenylphenyl)-2H-triazin-5-one.
What is the SMILES notation for 4-(4-methoxy-2-phenylphenyl)-2H-triazin-5-one?
The canonical SMILES for 4-(4-methoxy-2-phenylphenyl)-2H-triazin-5-one is COc1ccc(-c2n[nH]ncc2=O)c(-c2ccccc2)c1.
What is the InChIKey of 4-(4-methoxy-2-phenylphenyl)-2H-triazin-5-one?
The InChIKey is SDALKCVWIZKAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-21-12-7-8-13(16-15(20)10-17-19-18-16)14(9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,20).
What are the key properties of 4-(4-methoxy-2-phenylphenyl)-2H-triazin-5-one?
4-(4-methoxy-2-phenylphenyl)-2H-triazin-5-one has a molecular weight of 279.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2-phenylphenyl)-2H-triazin-5-one is sourced from PubChem (CID 174944879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).