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

C12H17N3O4 — CID 55082190

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NC1(CO)CCCC1
InChIInChI=1S/C12H17N3O4/c16-8-12(5-1-2-6-12)13-10(18)7-15-11(19)4-3-9(17)14-15/h3-4,16H,1-2,5-8H2,(H,13,18)(H,14,17)
InChIKeyICAGJHGGYJYYFE-UHFFFAOYSA-N
MW267.28 g/mol
LogP-1.04
Rot. Bonds4

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

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide (PubChem CID 55082190) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
PubChem CID55082190
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NC1(CO)CCCC1
InChIInChI=1S/C12H17N3O4/c16-8-12(5-1-2-6-12)13-10(18)7-15-11(19)4-3-9(17)14-15/h3-4,16H,1-2,5-8H2,(H,13,18)(H,14,17)
InChIKeyICAGJHGGYJYYFE-UHFFFAOYSA-N
XLogP-1.04
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62520574
2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115764818
2-(4-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 55081558
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62518050
N-[1-(hydroxymethyl)cyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 62521635
2-(3-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62524961
N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55082531
N-[1-(aminomethyl)cyclopentyl]-2-(2-oxo-1-pyridinyl)acetamide;hydrochloride
CID 119566853
N-[1-(hydroxymethyl)cyclopentyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 62518811
N-[1-(hydroxymethyl)cyclopentyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 97434100
N-[1-(hydroxymethyl)cyclopentyl]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
CID 72841984
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62518421

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide (CID 55082190) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide is O=C(Cn1[nH]c(=O)ccc1=O)NC1(CO)CCCC1.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide?
The InChIKey is ICAGJHGGYJYYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c16-8-12(5-1-2-6-12)13-10(18)7-15-11(19)4-3-9(17)14-15/h3-4,16H,1-2,5-8H2,(H,13,18)(H,14,17).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide has a molecular weight of 267.28 g/mol, XLogP of -1.04, 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)cyclopentyl]acetamide is sourced from PubChem (CID 55082190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).