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

C15H14N4O — CID 3059459

IUPAC1-(3-phenyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)propan-1-one
SMILESCCC(=O)N1NC(c2ccccc2)=Nc2cnccc21
InChIInChI=1S/C15H14N4O/c1-2-14(20)19-13-8-9-16-10-12(13)17-15(18-19)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,18)
InChIKeyRNFKQUORQLXOQG-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.42
Rot. Bonds2

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

1-(3-phenyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)propan-1-one (PubChem CID 3059459) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(3-phenyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-phenyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)propan-1-one
PubChem CID3059459
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name1-(3-phenyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)propan-1-one
SMILESCCC(=O)N1NC(c2ccccc2)=Nc2cnccc21
InChIInChI=1S/C15H14N4O/c1-2-14(20)19-13-8-9-16-10-12(13)17-15(18-19)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,18)
InChIKeyRNFKQUORQLXOQG-UHFFFAOYSA-N
XLogP2.42
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.42
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)propan-1-one?
The IUPAC name of 1-(3-phenyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)propan-1-one (CID 3059459) is 1-(3-phenyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(3-phenyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)propan-1-one?
The canonical SMILES for 1-(3-phenyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)propan-1-one is CCC(=O)N1NC(c2ccccc2)=Nc2cnccc21.
What is the InChIKey of 1-(3-phenyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)propan-1-one?
The InChIKey is RNFKQUORQLXOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-2-14(20)19-13-8-9-16-10-12(13)17-15(18-19)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,18).
What are the key properties of 1-(3-phenyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)propan-1-one?
1-(3-phenyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)propan-1-one has a molecular weight of 266.30 g/mol, XLogP of 2.42, 2 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)propan-1-one is sourced from PubChem (CID 3059459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).