2-methyl-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide

C14H18N4O2 — CID 13386039

IUPAC2-methyl-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(C2=NNC(=O)NC2C)cc1
InChIInChI=1S/C14H18N4O2/c1-8(2)13(19)16-11-6-4-10(5-7-11)12-9(3)15-14(20)18-17-12/h4-9H,1-3H3,(H,16,19)(H2,15,18,20)
InChIKeyZSWACKUWUJLKBZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.69
Rot. Bonds3

About 2-methyl-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide

2-methyl-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide (PubChem CID 13386039) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-methyl-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide
PubChem CID13386039
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-methyl-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(C2=NNC(=O)NC2C)cc1
InChIInChI=1S/C14H18N4O2/c1-8(2)13(19)16-11-6-4-10(5-7-11)12-9(3)15-14(20)18-17-12/h4-9H,1-3H3,(H,16,19)(H2,15,18,20)
InChIKeyZSWACKUWUJLKBZ-UHFFFAOYSA-N
XLogP1.69
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide (CID 13386039) is 2-methyl-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide is CC(C)C(=O)Nc1ccc(C2=NNC(=O)NC2C)cc1.
What is the InChIKey of 2-methyl-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide?
The InChIKey is ZSWACKUWUJLKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-8(2)13(19)16-11-6-4-10(5-7-11)12-9(3)15-14(20)18-17-12/h4-9H,1-3H3,(H,16,19)(H2,15,18,20).
What are the key properties of 2-methyl-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide?
2-methyl-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide has a molecular weight of 274.32 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]propanamide is sourced from PubChem (CID 13386039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).