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

C13H19N3O4 — CID 65113564

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCC1(O)CCCCC1
InChIInChI=1S/C13H19N3O4/c17-10-4-5-12(19)16(15-10)8-11(18)14-9-13(20)6-2-1-3-7-13/h4-5,20H,1-3,6-9H2,(H,14,18)(H,15,17)
InChIKeyWCMLLVKCTFAAMS-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.65
Rot. Bonds4

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

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide (PubChem CID 65113564) 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-[(1-hydroxycyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
PubChem CID65113564
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCC1(O)CCCCC1
InChIInChI=1S/C13H19N3O4/c17-10-4-5-12(19)16(15-10)8-11(18)14-9-13(20)6-2-1-3-7-13/h4-5,20H,1-3,6-9H2,(H,14,18)(H,15,17)
InChIKeyWCMLLVKCTFAAMS-UHFFFAOYSA-N
XLogP-0.65
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 ≤ 5-0.65
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-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2-hydroxycyclohexyl)methyl]acetamide
CID 64929098
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-hydroxycyclopentyl)methyl]acetamide
CID 65114035
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-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 65904671
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-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 103968969
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106123937
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpentyl)acetamide
CID 107363280

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide (CID 65113564) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide is O=C(Cn1[nH]c(=O)ccc1=O)NCC1(O)CCCCC1.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide?
The InChIKey is WCMLLVKCTFAAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c17-10-4-5-12(19)16(15-10)8-11(18)14-9-13(20)6-2-1-3-7-13/h4-5,20H,1-3,6-9H2,(H,14,18)(H,15,17).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide has a molecular weight of 281.31 g/mol, XLogP of -0.65, 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-hydroxycyclohexyl)methyl]acetamide is sourced from PubChem (CID 65113564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).