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

C12H14N4O2 — CID 13386032

IUPACN-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=NNC(=O)NC2C)cc1
InChIInChI=1S/C12H14N4O2/c1-7-11(15-16-12(18)13-7)9-3-5-10(6-4-9)14-8(2)17/h3-7H,1-2H3,(H,14,17)(H2,13,16,18)
InChIKeyWTQASZCLLKBGKN-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.05
Rot. Bonds2

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

N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]acetamide (PubChem CID 13386032) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]acetamide
PubChem CID13386032
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=NNC(=O)NC2C)cc1
InChIInChI=1S/C12H14N4O2/c1-7-11(15-16-12(18)13-7)9-3-5-10(6-4-9)14-8(2)17/h3-7H,1-2H3,(H,14,17)(H2,13,16,18)
InChIKeyWTQASZCLLKBGKN-UHFFFAOYSA-N
XLogP1.05
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]acetamide?
The IUPAC name of N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]acetamide (CID 13386032) is N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]acetamide is CC(=O)Nc1ccc(C2=NNC(=O)NC2C)cc1.
What is the InChIKey of N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]acetamide?
The InChIKey is WTQASZCLLKBGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-7-11(15-16-12(18)13-7)9-3-5-10(6-4-9)14-8(2)17/h3-7H,1-2H3,(H,14,17)(H2,13,16,18).
What are the key properties of N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]acetamide?
N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]acetamide has a molecular weight of 246.27 g/mol, XLogP of 1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]acetamide is sourced from PubChem (CID 13386032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).