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

C14H21N3O4 — CID 62527554

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide
SMILESCC1CCCC(CO)(NC(=O)Cn2[nH]c(=O)ccc2=O)C1
InChIInChI=1S/C14H21N3O4/c1-10-3-2-6-14(7-10,9-18)15-12(20)8-17-13(21)5-4-11(19)16-17/h4-5,10,18H,2-3,6-9H2,1H3,(H,15,20)(H,16,19)
InChIKeyKMUJHNYTBYZRBJ-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.41
Rot. Bonds4

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

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide (PubChem CID 62527554) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide
PubChem CID62527554
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide
SMILESCC1CCCC(CO)(NC(=O)Cn2[nH]c(=O)ccc2=O)C1
InChIInChI=1S/C14H21N3O4/c1-10-3-2-6-14(7-10,9-18)15-12(20)8-17-13(21)5-4-11(19)16-17/h4-5,10,18H,2-3,6-9H2,1H3,(H,15,20)(H,16,19)
InChIKeyKMUJHNYTBYZRBJ-UHFFFAOYSA-N
XLogP-0.41
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide (CID 62527554) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide is CC1CCCC(CO)(NC(=O)Cn2[nH]c(=O)ccc2=O)C1.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide?
The InChIKey is KMUJHNYTBYZRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-10-3-2-6-14(7-10,9-18)15-12(20)8-17-13(21)5-4-11(19)16-17/h4-5,10,18H,2-3,6-9H2,1H3,(H,15,20)(H,16,19).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide has a molecular weight of 295.34 g/mol, XLogP of -0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide is sourced from PubChem (CID 62527554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).