3-(2-aminophenyl)-6-phenyl-4H-1,2,4-triazin-5-one

C15H12N4O — CID 135659927

IUPAC3-(2-aminophenyl)-6-phenyl-4H-1,2,4-triazin-5-one
SMILESNc1ccccc1-c1nnc(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C15H12N4O/c16-12-9-5-4-8-11(12)14-17-15(20)13(18-19-14)10-6-2-1-3-7-10/h1-9H,16H2,(H,17,19,20)
InChIKeyYJSDSCSKVIDATJ-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.08
Rot. Bonds2

About 3-(2-aminophenyl)-6-phenyl-4H-1,2,4-triazin-5-one

3-(2-aminophenyl)-6-phenyl-4H-1,2,4-triazin-5-one (PubChem CID 135659927) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 3-(2-aminophenyl)-6-phenyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(2-aminophenyl)-6-phenyl-4H-1,2,4-triazin-5-one
PubChem CID135659927
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name3-(2-aminophenyl)-6-phenyl-4H-1,2,4-triazin-5-one
SMILESNc1ccccc1-c1nnc(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C15H12N4O/c16-12-9-5-4-8-11(12)14-17-15(20)13(18-19-14)10-6-2-1-3-7-10/h1-9H,16H2,(H,17,19,20)
InChIKeyYJSDSCSKVIDATJ-UHFFFAOYSA-N
XLogP2.08
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-6-phenyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(2-aminophenyl)-6-phenyl-4H-1,2,4-triazin-5-one (CID 135659927) is 3-(2-aminophenyl)-6-phenyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(2-aminophenyl)-6-phenyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(2-aminophenyl)-6-phenyl-4H-1,2,4-triazin-5-one is Nc1ccccc1-c1nnc(-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 3-(2-aminophenyl)-6-phenyl-4H-1,2,4-triazin-5-one?
The InChIKey is YJSDSCSKVIDATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c16-12-9-5-4-8-11(12)14-17-15(20)13(18-19-14)10-6-2-1-3-7-10/h1-9H,16H2,(H,17,19,20).
What are the key properties of 3-(2-aminophenyl)-6-phenyl-4H-1,2,4-triazin-5-one?
3-(2-aminophenyl)-6-phenyl-4H-1,2,4-triazin-5-one has a molecular weight of 264.29 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-6-phenyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135659927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).