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

C12H17N3O4 — CID 65114035

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycyclopentyl)methyl]acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCC1(O)CCCC1
InChIInChI=1S/C12H17N3O4/c16-9-3-4-11(18)15(14-9)7-10(17)13-8-12(19)5-1-2-6-12/h3-4,19H,1-2,5-8H2,(H,13,17)(H,14,16)
InChIKeyCEBLHRPGOJGQIG-UHFFFAOYSA-N
MW267.28 g/mol
LogP-1.04
Rot. Bonds4

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

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycyclopentyl)methyl]acetamide (PubChem CID 65114035) 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-hydroxycyclopentyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycyclopentyl)methyl]acetamide
PubChem CID65114035
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycyclopentyl)methyl]acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCC1(O)CCCC1
InChIInChI=1S/C12H17N3O4/c16-9-3-4-11(18)15(14-9)7-10(17)13-8-12(19)5-1-2-6-12/h3-4,19H,1-2,5-8H2,(H,13,17)(H,14,16)
InChIKeyCEBLHRPGOJGQIG-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

N-(cyclopentylmethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 53498278
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 55082190
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65112300
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-hydroxy-2-methylbutyl)acetamide
CID 65114984
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 65120324
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 65123297
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
CID 65124329
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2-hydroxycyclopentyl)methyl]acetamide
CID 65832566
2-[2-(3-hydroxy-3-propylazetidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 65927871
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 66179679
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 107155334

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycyclopentyl)methyl]acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycyclopentyl)methyl]acetamide (CID 65114035) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycyclopentyl)methyl]acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycyclopentyl)methyl]acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycyclopentyl)methyl]acetamide is O=C(Cn1[nH]c(=O)ccc1=O)NCC1(O)CCCC1.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycyclopentyl)methyl]acetamide?
The InChIKey is CEBLHRPGOJGQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c16-9-3-4-11(18)15(14-9)7-10(17)13-8-12(19)5-1-2-6-12/h3-4,19H,1-2,5-8H2,(H,13,17)(H,14,16).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycyclopentyl)methyl]acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycyclopentyl)methyl]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-hydroxycyclopentyl)methyl]acetamide is sourced from PubChem (CID 65114035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).