3-phenyl-6-[(E)-2-phenylethenyl]-4H-1,2,4-triazin-5-one

C17H13N3O — CID 135445594

IUPAC3-phenyl-6-[(E)-2-phenylethenyl]-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(-c2ccccc2)nnc1/C=C/c1ccccc1
InChIInChI=1S/C17H13N3O/c21-17-15(12-11-13-7-3-1-4-8-13)19-20-16(18-17)14-9-5-2-6-10-14/h1-12H,(H,18,20,21)/b12-11+
InChIKeyKJAZQTJRDGILAZ-VAWYXSNFSA-N
MW275.31 g/mol
LogP3.00
Rot. Bonds3

About 3-phenyl-6-[(E)-2-phenylethenyl]-4H-1,2,4-triazin-5-one

3-phenyl-6-[(E)-2-phenylethenyl]-4H-1,2,4-triazin-5-one (PubChem CID 135445594) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-phenyl-6-[(E)-2-phenylethenyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-phenyl-6-[(E)-2-phenylethenyl]-4H-1,2,4-triazin-5-one
PubChem CID135445594
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name3-phenyl-6-[(E)-2-phenylethenyl]-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(-c2ccccc2)nnc1/C=C/c1ccccc1
InChIInChI=1S/C17H13N3O/c21-17-15(12-11-13-7-3-1-4-8-13)19-20-16(18-17)14-9-5-2-6-10-14/h1-12H,(H,18,20,21)/b12-11+
InChIKeyKJAZQTJRDGILAZ-VAWYXSNFSA-N
XLogP3.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-[(E)-2-phenylethenyl]-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-phenyl-6-[(E)-2-phenylethenyl]-4H-1,2,4-triazin-5-one (CID 135445594) is 3-phenyl-6-[(E)-2-phenylethenyl]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-phenyl-6-[(E)-2-phenylethenyl]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-phenyl-6-[(E)-2-phenylethenyl]-4H-1,2,4-triazin-5-one is O=c1[nH]c(-c2ccccc2)nnc1/C=C/c1ccccc1.
What is the InChIKey of 3-phenyl-6-[(E)-2-phenylethenyl]-4H-1,2,4-triazin-5-one?
The InChIKey is KJAZQTJRDGILAZ-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H13N3O/c21-17-15(12-11-13-7-3-1-4-8-13)19-20-16(18-17)14-9-5-2-6-10-14/h1-12H,(H,18,20,21)/b12-11+.
What are the key properties of 3-phenyl-6-[(E)-2-phenylethenyl]-4H-1,2,4-triazin-5-one?
3-phenyl-6-[(E)-2-phenylethenyl]-4H-1,2,4-triazin-5-one has a molecular weight of 275.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-[(E)-2-phenylethenyl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135445594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).