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

C13H19N3O3 — CID 97092035

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCC[C@@H](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)/t9-,10-/m1/s1
InChIKeyCEMGFUGMMUQZBL-NXEZZACHSA-N
MW265.31 g/mol
LogP0.23
Rot. Bonds3

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

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide (PubChem CID 97092035) 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-[(1R,3R)-3-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide
PubChem CID97092035
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCC[C@@H](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)/t9-,10-/m1/s1
InChIKeyCEMGFUGMMUQZBL-NXEZZACHSA-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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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide (CID 97092035) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide is C[C@@H]1CCC[C@@H](NC(=O)Cn2[nH]c(=O)ccc2=O)C1.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide?
The InChIKey is CEMGFUGMMUQZBL-NXEZZACHSA-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)/t9-,10-/m1/s1.
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1R,3R)-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-[(1R,3R)-3-methylcyclohexyl]acetamide is sourced from PubChem (CID 97092035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).