3-(6-oxo-1H-pyridazin-3-yl)-1,1-bis(prop-2-enyl)urea

C11H14N4O2 — CID 108887310

IUPAC3-(6-oxo-1H-pyridazin-3-yl)-1,1-bis(prop-2-enyl)urea
SMILESC=CCN(CC=C)C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C11H14N4O2/c1-3-7-15(8-4-2)11(17)12-9-5-6-10(16)14-13-9/h3-6H,1-2,7-8H2,(H,14,16)(H,12,13,17)
InChIKeyKKAJHTLAUMPMGB-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.98
Rot. Bonds5

About 3-(6-oxo-1H-pyridazin-3-yl)-1,1-bis(prop-2-enyl)urea

3-(6-oxo-1H-pyridazin-3-yl)-1,1-bis(prop-2-enyl)urea (PubChem CID 108887310) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-(6-oxo-1H-pyridazin-3-yl)-1,1-bis(prop-2-enyl)urea.

Molecular Properties

Compound Name3-(6-oxo-1H-pyridazin-3-yl)-1,1-bis(prop-2-enyl)urea
PubChem CID108887310
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name3-(6-oxo-1H-pyridazin-3-yl)-1,1-bis(prop-2-enyl)urea
SMILESC=CCN(CC=C)C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C11H14N4O2/c1-3-7-15(8-4-2)11(17)12-9-5-6-10(16)14-13-9/h3-6H,1-2,7-8H2,(H,14,16)(H,12,13,17)
InChIKeyKKAJHTLAUMPMGB-UHFFFAOYSA-N
XLogP0.98
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-oxo-1H-pyridazin-3-yl)-1,1-bis(prop-2-enyl)urea?
The IUPAC name of 3-(6-oxo-1H-pyridazin-3-yl)-1,1-bis(prop-2-enyl)urea (CID 108887310) is 3-(6-oxo-1H-pyridazin-3-yl)-1,1-bis(prop-2-enyl)urea.
What is the SMILES notation for 3-(6-oxo-1H-pyridazin-3-yl)-1,1-bis(prop-2-enyl)urea?
The canonical SMILES for 3-(6-oxo-1H-pyridazin-3-yl)-1,1-bis(prop-2-enyl)urea is C=CCN(CC=C)C(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 3-(6-oxo-1H-pyridazin-3-yl)-1,1-bis(prop-2-enyl)urea?
The InChIKey is KKAJHTLAUMPMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-3-7-15(8-4-2)11(17)12-9-5-6-10(16)14-13-9/h3-6H,1-2,7-8H2,(H,14,16)(H,12,13,17).
What are the key properties of 3-(6-oxo-1H-pyridazin-3-yl)-1,1-bis(prop-2-enyl)urea?
3-(6-oxo-1H-pyridazin-3-yl)-1,1-bis(prop-2-enyl)urea has a molecular weight of 234.26 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxo-1H-pyridazin-3-yl)-1,1-bis(prop-2-enyl)urea is sourced from PubChem (CID 108887310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).