2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-hydroxyhexyl)acetamide

C12H19N3O4 — CID 107363302

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-hydroxyhexyl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCCCCCCO
InChIInChI=1S/C12H19N3O4/c16-8-4-2-1-3-7-13-11(18)9-15-12(19)6-5-10(17)14-15/h5-6,16H,1-4,7-9H2,(H,13,18)(H,14,17)
InChIKeyDWFMTIAAYXKVSH-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.79
Rot. Bonds8

About 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-hydroxyhexyl)acetamide

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-hydroxyhexyl)acetamide (PubChem CID 107363302) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-hydroxyhexyl)acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-hydroxyhexyl)acetamide
PubChem CID107363302
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-hydroxyhexyl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCCCCCCO
InChIInChI=1S/C12H19N3O4/c16-8-4-2-1-3-7-13-11(18)9-15-12(19)6-5-10(17)14-15/h5-6,16H,1-4,7-9H2,(H,13,18)(H,14,17)
InChIKeyDWFMTIAAYXKVSH-UHFFFAOYSA-N
XLogP-0.79
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]hexanoic acid
CID 43170012
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxycyclohexyl)acetamide
CID 43389169
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxypropyl)acetamide
CID 43500367
2-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 43572846
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxycyclohexyl)acetamide
CID 55063979
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 55082190
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-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 62467009
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxybutyl)acetamide
CID 64911783
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)cyclopentyl]methyl]acetamide
CID 65926548

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-hydroxyhexyl)acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-hydroxyhexyl)acetamide (CID 107363302) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-hydroxyhexyl)acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-hydroxyhexyl)acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-hydroxyhexyl)acetamide is O=C(Cn1[nH]c(=O)ccc1=O)NCCCCCCO.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-hydroxyhexyl)acetamide?
The InChIKey is DWFMTIAAYXKVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c16-8-4-2-1-3-7-13-11(18)9-15-12(19)6-5-10(17)14-15/h5-6,16H,1-4,7-9H2,(H,13,18)(H,14,17).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-hydroxyhexyl)acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-hydroxyhexyl)acetamide has a molecular weight of 269.30 g/mol, XLogP of -0.79, 8 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-(6-hydroxyhexyl)acetamide is sourced from PubChem (CID 107363302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).