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

C13H19N3O4 — CID 107363299

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NC1CCCCC1CO
InChIInChI=1S/C13H19N3O4/c17-8-9-3-1-2-4-10(9)14-12(19)7-16-13(20)6-5-11(18)15-16/h5-6,9-10,17H,1-4,7-8H2,(H,14,19)(H,15,18)
InChIKeyUFRRNBZZBOOTFJ-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.80
Rot. Bonds4

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

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide (PubChem CID 107363299) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
PubChem CID107363299
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NC1CCCCC1CO
InChIInChI=1S/C13H19N3O4/c17-8-9-3-1-2-4-10(9)14-12(19)7-16-13(20)6-5-11(18)15-16/h5-6,9-10,17H,1-4,7-8H2,(H,14,19)(H,15,18)
InChIKeyUFRRNBZZBOOTFJ-UHFFFAOYSA-N
XLogP-0.80
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxycyclohexyl)acetamide
CID 43389169
2-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 60956364
2-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 62371293
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62520574
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide
CID 62525782
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide
CID 62527554
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64815205
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2-hydroxycyclohexyl)methyl]acetamide
CID 64929098
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 65113564
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2-hydroxycyclopentyl)methyl]acetamide
CID 65832566
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 65904671
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[[2-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 65926548

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide (CID 107363299) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide is O=C(Cn1[nH]c(=O)ccc1=O)NC1CCCCC1CO.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide?
The InChIKey is UFRRNBZZBOOTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c17-8-9-3-1-2-4-10(9)14-12(19)7-16-13(20)6-5-11(18)15-16/h5-6,9-10,17H,1-4,7-8H2,(H,14,19)(H,15,18).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide has a molecular weight of 281.31 g/mol, XLogP of -0.80, 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-[2-(hydroxymethyl)cyclohexyl]acetamide is sourced from PubChem (CID 107363299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).