1-butyl-3-(6-oxo-1H-pyridazin-3-yl)urea

C9H14N4O2 — CID 108887237

IUPAC1-butyl-3-(6-oxo-1H-pyridazin-3-yl)urea
SMILESCCCCNC(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C9H14N4O2/c1-2-3-6-10-9(15)11-7-4-5-8(14)13-12-7/h4-5H,2-3,6H2,1H3,(H,13,14)(H2,10,11,12,15)
InChIKeyCAOUGKUQMJEFQT-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.69
Rot. Bonds4

About 1-butyl-3-(6-oxo-1H-pyridazin-3-yl)urea

1-butyl-3-(6-oxo-1H-pyridazin-3-yl)urea (PubChem CID 108887237) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-butyl-3-(6-oxo-1H-pyridazin-3-yl)urea.

Molecular Properties

Compound Name1-butyl-3-(6-oxo-1H-pyridazin-3-yl)urea
PubChem CID108887237
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name1-butyl-3-(6-oxo-1H-pyridazin-3-yl)urea
SMILESCCCCNC(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C9H14N4O2/c1-2-3-6-10-9(15)11-7-4-5-8(14)13-12-7/h4-5H,2-3,6H2,1H3,(H,13,14)(H2,10,11,12,15)
InChIKeyCAOUGKUQMJEFQT-UHFFFAOYSA-N
XLogP0.69
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 1-butyl-3-(6-oxo-1H-pyridazin-3-yl)urea?
The IUPAC name of 1-butyl-3-(6-oxo-1H-pyridazin-3-yl)urea (CID 108887237) is 1-butyl-3-(6-oxo-1H-pyridazin-3-yl)urea.
What is the SMILES notation for 1-butyl-3-(6-oxo-1H-pyridazin-3-yl)urea?
The canonical SMILES for 1-butyl-3-(6-oxo-1H-pyridazin-3-yl)urea is CCCCNC(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 1-butyl-3-(6-oxo-1H-pyridazin-3-yl)urea?
The InChIKey is CAOUGKUQMJEFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-2-3-6-10-9(15)11-7-4-5-8(14)13-12-7/h4-5H,2-3,6H2,1H3,(H,13,14)(H2,10,11,12,15).
What are the key properties of 1-butyl-3-(6-oxo-1H-pyridazin-3-yl)urea?
1-butyl-3-(6-oxo-1H-pyridazin-3-yl)urea has a molecular weight of 210.24 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(6-oxo-1H-pyridazin-3-yl)urea is sourced from PubChem (CID 108887237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).