1-(3-phenyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)ethanone

C14H12N4O — CID 3059461

IUPAC1-(3-phenyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)ethanone
SMILESCC(=O)N1NC(c2ccccc2)=Nc2cnccc21
InChIInChI=1S/C14H12N4O/c1-10(19)18-13-7-8-15-9-12(13)16-14(17-18)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)
InChIKeyGRXARNNAJDGLND-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.03
Rot. Bonds1

About 1-(3-phenyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)ethanone

1-(3-phenyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)ethanone (PubChem CID 3059461) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-(3-phenyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-phenyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)ethanone
PubChem CID3059461
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name1-(3-phenyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)ethanone
SMILESCC(=O)N1NC(c2ccccc2)=Nc2cnccc21
InChIInChI=1S/C14H12N4O/c1-10(19)18-13-7-8-15-9-12(13)16-14(17-18)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)
InChIKeyGRXARNNAJDGLND-UHFFFAOYSA-N
XLogP2.03
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)ethanone?
The IUPAC name of 1-(3-phenyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)ethanone (CID 3059461) is 1-(3-phenyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)ethanone.
What is the SMILES notation for 1-(3-phenyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)ethanone?
The canonical SMILES for 1-(3-phenyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)ethanone is CC(=O)N1NC(c2ccccc2)=Nc2cnccc21.
What is the InChIKey of 1-(3-phenyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)ethanone?
The InChIKey is GRXARNNAJDGLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-10(19)18-13-7-8-15-9-12(13)16-14(17-18)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17).
What are the key properties of 1-(3-phenyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)ethanone?
1-(3-phenyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)ethanone has a molecular weight of 252.28 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)ethanone is sourced from PubChem (CID 3059461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).