2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-methylcyclohexyl)acetamide

C13H19N3O3 — CID 71896162

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-methylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)Cn2[nH]c(=O)ccc2=O)C1
InChIInChI=1S/C13H19N3O3/c1-9-3-2-4-10(7-9)14-12(18)8-16-13(19)6-5-11(17)15-16/h5-6,9-10H,2-4,7-8H2,1H3,(H,14,18)(H,15,17)
InChIKeyCEMGFUGMMUQZBL-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.23
Rot. Bonds3

About 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-methylcyclohexyl)acetamide

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-methylcyclohexyl)acetamide (PubChem CID 71896162) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-methylcyclohexyl)acetamide
PubChem CID71896162
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-methylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)Cn2[nH]c(=O)ccc2=O)C1
InChIInChI=1S/C13H19N3O3/c1-9-3-2-4-10(7-9)14-12(18)8-16-13(19)6-5-11(17)15-16/h5-6,9-10H,2-4,7-8H2,1H3,(H,14,18)(H,15,17)
InChIKeyCEMGFUGMMUQZBL-UHFFFAOYSA-N
XLogP0.23
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]acetamide
CID 56702846
2-[2-(aminomethyl)-5-ethylcyclohexyl]-1H-pyridazine-3,6-dione
CID 43329385
2-[2-(aminomethyl)-5-propylcyclohexyl]-1H-pyridazine-3,6-dione
CID 43428549
2-[2-(aminomethyl)-5-methylcyclohexyl]-1H-pyridazine-3,6-dione
CID 43428550
2-[2-(aminomethyl)cyclohexyl]-1H-pyridazine-3,6-dione
CID 43428552
2-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 45819178
N-(cyclopentylmethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 53498278
N-(2,3-dimethylcyclohexyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 53513193
2-(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide
CID 56720919
N-cyclohexyl-2-(3,6-dioxo-1,2,3,6-tetrahydropyridazin-1-yl)acetamide
CID 60635049
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 95150405
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 95150407

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-methylcyclohexyl)acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-methylcyclohexyl)acetamide (CID 71896162) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-methylcyclohexyl)acetamide is CC1CCCC(NC(=O)Cn2[nH]c(=O)ccc2=O)C1.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-methylcyclohexyl)acetamide?
The InChIKey is CEMGFUGMMUQZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-3-2-4-10(7-9)14-12(18)8-16-13(19)6-5-11(17)15-16/h5-6,9-10H,2-4,7-8H2,1H3,(H,14,18)(H,15,17).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-methylcyclohexyl)acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-methylcyclohexyl)acetamide has a molecular weight of 265.31 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-methylcyclohexyl)acetamide is sourced from PubChem (CID 71896162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).