1-methoxy-3-(5-methylpyridazin-4-yl)urea

C7H10N4O2 — CID 130621021

IUPAC1-methoxy-3-(5-methylpyridazin-4-yl)urea
SMILESCONC(=O)Nc1cnncc1C
InChIInChI=1S/C7H10N4O2/c1-5-3-8-9-4-6(5)10-7(12)11-13-2/h3-4H,1-2H3,(H2,8,10,11,12)
InChIKeyXMIIJIASFJWVIL-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.47
Rot. Bonds2

About 1-methoxy-3-(5-methylpyridazin-4-yl)urea

1-methoxy-3-(5-methylpyridazin-4-yl)urea (PubChem CID 130621021) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 1-methoxy-3-(5-methylpyridazin-4-yl)urea.

Molecular Properties

Compound Name1-methoxy-3-(5-methylpyridazin-4-yl)urea
PubChem CID130621021
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name1-methoxy-3-(5-methylpyridazin-4-yl)urea
SMILESCONC(=O)Nc1cnncc1C
InChIInChI=1S/C7H10N4O2/c1-5-3-8-9-4-6(5)10-7(12)11-13-2/h3-4H,1-2H3,(H2,8,10,11,12)
InChIKeyXMIIJIASFJWVIL-UHFFFAOYSA-N
XLogP0.47
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(5-methylpyridazin-4-yl)urea?
The IUPAC name of 1-methoxy-3-(5-methylpyridazin-4-yl)urea (CID 130621021) is 1-methoxy-3-(5-methylpyridazin-4-yl)urea.
What is the SMILES notation for 1-methoxy-3-(5-methylpyridazin-4-yl)urea?
The canonical SMILES for 1-methoxy-3-(5-methylpyridazin-4-yl)urea is CONC(=O)Nc1cnncc1C.
What is the InChIKey of 1-methoxy-3-(5-methylpyridazin-4-yl)urea?
The InChIKey is XMIIJIASFJWVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-5-3-8-9-4-6(5)10-7(12)11-13-2/h3-4H,1-2H3,(H2,8,10,11,12).
What are the key properties of 1-methoxy-3-(5-methylpyridazin-4-yl)urea?
1-methoxy-3-(5-methylpyridazin-4-yl)urea has a molecular weight of 182.18 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(5-methylpyridazin-4-yl)urea is sourced from PubChem (CID 130621021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).