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

C9H14N4O3 — CID 108887245

IUPAC1-(3-methoxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
SMILESCOCCCNC(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C9H14N4O3/c1-16-6-2-5-10-9(15)11-7-3-4-8(14)13-12-7/h3-4H,2,5-6H2,1H3,(H,13,14)(H2,10,11,12,15)
InChIKeyCVCZUDCKBRJJIR-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.07
Rot. Bonds5

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

1-(3-methoxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea (PubChem CID 108887245) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
PubChem CID108887245
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name1-(3-methoxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
SMILESCOCCCNC(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C9H14N4O3/c1-16-6-2-5-10-9(15)11-7-3-4-8(14)13-12-7/h3-4H,2,5-6H2,1H3,(H,13,14)(H2,10,11,12,15)
InChIKeyCVCZUDCKBRJJIR-UHFFFAOYSA-N
XLogP-0.07
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(3-methoxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The IUPAC name of 1-(3-methoxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea (CID 108887245) is 1-(3-methoxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea.
What is the SMILES notation for 1-(3-methoxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The canonical SMILES for 1-(3-methoxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea is COCCCNC(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 1-(3-methoxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The InChIKey is CVCZUDCKBRJJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-16-6-2-5-10-9(15)11-7-3-4-8(14)13-12-7/h3-4H,2,5-6H2,1H3,(H,13,14)(H2,10,11,12,15).
What are the key properties of 1-(3-methoxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
1-(3-methoxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea has a molecular weight of 226.24 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea is sourced from PubChem (CID 108887245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).