2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(5-hydroxypentyl)-N-methylacetamide

C12H19N3O4 — CID 107202491

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(5-hydroxypentyl)-N-methylacetamide
SMILESCN(CCCCCO)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C12H19N3O4/c1-14(7-3-2-4-8-16)12(19)9-15-11(18)6-5-10(17)13-15/h5-6,16H,2-4,7-9H2,1H3,(H,13,17)
InChIKeyRXLBUSPRHFRKKQ-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.84
Rot. Bonds7

About 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(5-hydroxypentyl)-N-methylacetamide

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(5-hydroxypentyl)-N-methylacetamide (PubChem CID 107202491) 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-(5-hydroxypentyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(5-hydroxypentyl)-N-methylacetamide
PubChem CID107202491
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(5-hydroxypentyl)-N-methylacetamide
SMILESCN(CCCCCO)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C12H19N3O4/c1-14(7-3-2-4-8-16)12(19)9-15-11(18)6-5-10(17)13-15/h5-6,16H,2-4,7-9H2,1H3,(H,13,17)
InChIKeyRXLBUSPRHFRKKQ-UHFFFAOYSA-N
XLogP-0.84
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(5-hydroxypentyl)-N-methylacetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(5-hydroxypentyl)-N-methylacetamide (CID 107202491) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(5-hydroxypentyl)-N-methylacetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(5-hydroxypentyl)-N-methylacetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(5-hydroxypentyl)-N-methylacetamide is CN(CCCCCO)C(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(5-hydroxypentyl)-N-methylacetamide?
The InChIKey is RXLBUSPRHFRKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-14(7-3-2-4-8-16)12(19)9-15-11(18)6-5-10(17)13-15/h5-6,16H,2-4,7-9H2,1H3,(H,13,17).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(5-hydroxypentyl)-N-methylacetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(5-hydroxypentyl)-N-methylacetamide has a molecular weight of 269.30 g/mol, XLogP of -0.84, 7 rotatable bonds, 2 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-(5-hydroxypentyl)-N-methylacetamide is sourced from PubChem (CID 107202491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).