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

C11H17N3O4 — CID 107318397

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(5-hydroxypentyl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCCCCCO
InChIInChI=1S/C11H17N3O4/c15-7-3-1-2-6-12-10(17)8-14-11(18)5-4-9(16)13-14/h4-5,15H,1-3,6-8H2,(H,12,17)(H,13,16)
InChIKeyKSCRMBFWWABXJQ-UHFFFAOYSA-N
MW255.27 g/mol
LogP-1.18
Rot. Bonds7

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

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(5-hydroxypentyl)acetamide (PubChem CID 107318397) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(5-hydroxypentyl)acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(5-hydroxypentyl)acetamide
PubChem CID107318397
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(5-hydroxypentyl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCCCCCO
InChIInChI=1S/C11H17N3O4/c15-7-3-1-2-6-12-10(17)8-14-11(18)5-4-9(16)13-14/h4-5,15H,1-3,6-8H2,(H,12,17)(H,13,16)
InChIKeyKSCRMBFWWABXJQ-UHFFFAOYSA-N
XLogP-1.18
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-1.18
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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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(5-hydroxypentyl)acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(5-hydroxypentyl)acetamide (CID 107318397) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(5-hydroxypentyl)acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(5-hydroxypentyl)acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(5-hydroxypentyl)acetamide is O=C(Cn1[nH]c(=O)ccc1=O)NCCCCCO.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(5-hydroxypentyl)acetamide?
The InChIKey is KSCRMBFWWABXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c15-7-3-1-2-6-12-10(17)8-14-11(18)5-4-9(16)13-14/h4-5,15H,1-3,6-8H2,(H,12,17)(H,13,16).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(5-hydroxypentyl)acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(5-hydroxypentyl)acetamide has a molecular weight of 255.27 g/mol, XLogP of -1.18, 7 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-(5-hydroxypentyl)acetamide is sourced from PubChem (CID 107318397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).