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

C10H12N4O — CID 3059458

IUPAC1-(3-methyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)propan-1-one
SMILESCCC(=O)N1NC(C)=Nc2cnccc21
InChIInChI=1S/C10H12N4O/c1-3-10(15)14-9-4-5-11-6-8(9)12-7(2)13-14/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyAVOYYLUKESDVLC-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.39
Rot. Bonds1

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

1-(3-methyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)propan-1-one (PubChem CID 3059458) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-(3-methyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-methyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)propan-1-one
PubChem CID3059458
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name1-(3-methyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)propan-1-one
SMILESCCC(=O)N1NC(C)=Nc2cnccc21
InChIInChI=1S/C10H12N4O/c1-3-10(15)14-9-4-5-11-6-8(9)12-7(2)13-14/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyAVOYYLUKESDVLC-UHFFFAOYSA-N
XLogP1.39
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)propan-1-one?
The IUPAC name of 1-(3-methyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)propan-1-one (CID 3059458) is 1-(3-methyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(3-methyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)propan-1-one?
The canonical SMILES for 1-(3-methyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)propan-1-one is CCC(=O)N1NC(C)=Nc2cnccc21.
What is the InChIKey of 1-(3-methyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)propan-1-one?
The InChIKey is AVOYYLUKESDVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-3-10(15)14-9-4-5-11-6-8(9)12-7(2)13-14/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of 1-(3-methyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)propan-1-one?
1-(3-methyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)propan-1-one has a molecular weight of 204.23 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)propan-1-one is sourced from PubChem (CID 3059458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).