1-(1-acetylpyrido[3,4-e][1,2,4]triazin-4-yl)ethanone

C10H10N4O2 — CID 3059457

IUPAC1-(1-acetylpyrido[3,4-e][1,2,4]triazin-4-yl)ethanone
SMILESCC(=O)N1C=NN(C(C)=O)c2ccncc21
InChIInChI=1S/C10H10N4O2/c1-7(15)13-6-12-14(8(2)16)9-3-4-11-5-10(9)13/h3-6H,1-2H3
InChIKeyDFPDUIFXMWEHGL-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.74
Rot. Bonds

About 1-(1-acetylpyrido[3,4-e][1,2,4]triazin-4-yl)ethanone

1-(1-acetylpyrido[3,4-e][1,2,4]triazin-4-yl)ethanone (PubChem CID 3059457) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-(1-acetylpyrido[3,4-e][1,2,4]triazin-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-acetylpyrido[3,4-e][1,2,4]triazin-4-yl)ethanone
PubChem CID3059457
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name1-(1-acetylpyrido[3,4-e][1,2,4]triazin-4-yl)ethanone
SMILESCC(=O)N1C=NN(C(C)=O)c2ccncc21
InChIInChI=1S/C10H10N4O2/c1-7(15)13-6-12-14(8(2)16)9-3-4-11-5-10(9)13/h3-6H,1-2H3
InChIKeyDFPDUIFXMWEHGL-UHFFFAOYSA-N
XLogP0.74
TPSA65.87 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpyrido[3,4-e][1,2,4]triazin-4-yl)ethanone?
The IUPAC name of 1-(1-acetylpyrido[3,4-e][1,2,4]triazin-4-yl)ethanone (CID 3059457) is 1-(1-acetylpyrido[3,4-e][1,2,4]triazin-4-yl)ethanone.
What is the SMILES notation for 1-(1-acetylpyrido[3,4-e][1,2,4]triazin-4-yl)ethanone?
The canonical SMILES for 1-(1-acetylpyrido[3,4-e][1,2,4]triazin-4-yl)ethanone is CC(=O)N1C=NN(C(C)=O)c2ccncc21.
What is the InChIKey of 1-(1-acetylpyrido[3,4-e][1,2,4]triazin-4-yl)ethanone?
The InChIKey is DFPDUIFXMWEHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-7(15)13-6-12-14(8(2)16)9-3-4-11-5-10(9)13/h3-6H,1-2H3.
What are the key properties of 1-(1-acetylpyrido[3,4-e][1,2,4]triazin-4-yl)ethanone?
1-(1-acetylpyrido[3,4-e][1,2,4]triazin-4-yl)ethanone has a molecular weight of 218.22 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpyrido[3,4-e][1,2,4]triazin-4-yl)ethanone is sourced from PubChem (CID 3059457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).