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

C12H13ClN4O2 — CID 13386052

IUPACN-[2-chloro-4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=NNC(=O)NC2C)cc1Cl
InChIInChI=1S/C12H13ClN4O2/c1-6-11(16-17-12(19)14-6)8-3-4-10(9(13)5-8)15-7(2)18/h3-6H,1-2H3,(H,15,18)(H2,14,17,19)
InChIKeyQCNWJWHTQDQNPQ-UHFFFAOYSA-N
MW280.72 g/mol
LogP1.70
Rot. Bonds2

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

N-[2-chloro-4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]acetamide (PubChem CID 13386052) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is N-[2-chloro-4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]acetamide
PubChem CID13386052
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC NameN-[2-chloro-4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=NNC(=O)NC2C)cc1Cl
InChIInChI=1S/C12H13ClN4O2/c1-6-11(16-17-12(19)14-6)8-3-4-10(9(13)5-8)15-7(2)18/h3-6H,1-2H3,(H,15,18)(H2,14,17,19)
InChIKeyQCNWJWHTQDQNPQ-UHFFFAOYSA-N
XLogP1.70
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]acetamide (CID 13386052) is N-[2-chloro-4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]acetamide?
The canonical SMILES for N-[2-chloro-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)cc1Cl.
What is the InChIKey of N-[2-chloro-4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]acetamide?
The InChIKey is QCNWJWHTQDQNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-6-11(16-17-12(19)14-6)8-3-4-10(9(13)5-8)15-7(2)18/h3-6H,1-2H3,(H,15,18)(H2,14,17,19).
What are the key properties of N-[2-chloro-4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]acetamide?
N-[2-chloro-4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]acetamide has a molecular weight of 280.72 g/mol, XLogP of 1.70, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]acetamide is sourced from PubChem (CID 13386052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).