N-[6-(4-chlorophenyl)-3,5-dioxo-2H-1,2,4-triazin-4-yl]acetamide

C11H9ClN4O3 — CID 100965270

IUPACN-[6-(4-chlorophenyl)-3,5-dioxo-2H-1,2,4-triazin-4-yl]acetamide
SMILESCC(=O)Nn1c(=O)[nH]nc(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C11H9ClN4O3/c1-6(17)15-16-10(18)9(13-14-11(16)19)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,14,19)(H,15,17)
InChIKeyMXUWDGMPGFHTPI-UHFFFAOYSA-N
MW280.67 g/mol
LogP0.34
Rot. Bonds2

About N-[6-(4-chlorophenyl)-3,5-dioxo-2H-1,2,4-triazin-4-yl]acetamide

N-[6-(4-chlorophenyl)-3,5-dioxo-2H-1,2,4-triazin-4-yl]acetamide (PubChem CID 100965270) has the molecular formula C11H9ClN4O3 and a molecular weight of 280.67 g/mol. Its IUPAC name is N-[6-(4-chlorophenyl)-3,5-dioxo-2H-1,2,4-triazin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-(4-chlorophenyl)-3,5-dioxo-2H-1,2,4-triazin-4-yl]acetamide
PubChem CID100965270
Molecular FormulaC11H9ClN4O3
Molecular Weight280.67 g/mol
Exact Mass280.04
IUPAC NameN-[6-(4-chlorophenyl)-3,5-dioxo-2H-1,2,4-triazin-4-yl]acetamide
SMILESCC(=O)Nn1c(=O)[nH]nc(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C11H9ClN4O3/c1-6(17)15-16-10(18)9(13-14-11(16)19)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,14,19)(H,15,17)
InChIKeyMXUWDGMPGFHTPI-UHFFFAOYSA-N
XLogP0.34
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-4-methyl-1H-pyridazin-6-one
CID 14666394
[3-(4-chlorophenyl)-5-oxo-1H-1,2,4-triazol-4-yl] acetate
CID 174639379
N-[5-butyl-3-(4-chlorophenyl)-7-oxo-1H-pyrazolo[5,4-c]pyridin-6-yl]-2-phenylacetamide
CID 142699440
4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid
CID 56762534
N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]acetamide
CID 170732444
methyl 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylate
CID 142411116
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetamide
CID 112503051
4-(4-chlorophenyl)-3-(methylaminomethyl)-1H-1,2,4-triazol-5-one
CID 50977605
1-[7,8-bis(4-chlorophenyl)-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-(ethylamino)azetidine-3-carboxamide
CID 58772845
1-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-(3,4-dichlorophenyl)urea
CID 2121673
2-[5-acetyl-3,4-bis(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl-trimethylazanium iodide
CID 12688607
5-(4-chlorophenyl)-2H-triazole-4-carboxylic acid
CID 82372862

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chlorophenyl)-3,5-dioxo-2H-1,2,4-triazin-4-yl]acetamide?
The IUPAC name of N-[6-(4-chlorophenyl)-3,5-dioxo-2H-1,2,4-triazin-4-yl]acetamide (CID 100965270) is N-[6-(4-chlorophenyl)-3,5-dioxo-2H-1,2,4-triazin-4-yl]acetamide.
What is the SMILES notation for N-[6-(4-chlorophenyl)-3,5-dioxo-2H-1,2,4-triazin-4-yl]acetamide?
The canonical SMILES for N-[6-(4-chlorophenyl)-3,5-dioxo-2H-1,2,4-triazin-4-yl]acetamide is CC(=O)Nn1c(=O)[nH]nc(-c2ccc(Cl)cc2)c1=O.
What is the InChIKey of N-[6-(4-chlorophenyl)-3,5-dioxo-2H-1,2,4-triazin-4-yl]acetamide?
The InChIKey is MXUWDGMPGFHTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O3/c1-6(17)15-16-10(18)9(13-14-11(16)19)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,14,19)(H,15,17).
What are the key properties of N-[6-(4-chlorophenyl)-3,5-dioxo-2H-1,2,4-triazin-4-yl]acetamide?
N-[6-(4-chlorophenyl)-3,5-dioxo-2H-1,2,4-triazin-4-yl]acetamide has a molecular weight of 280.67 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chlorophenyl)-3,5-dioxo-2H-1,2,4-triazin-4-yl]acetamide is sourced from PubChem (CID 100965270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).