1-(6-oxo-1H-pyridazin-3-yl)-3-prop-2-enylurea

C8H10N4O2 — CID 108887387

IUPAC1-(6-oxo-1H-pyridazin-3-yl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C8H10N4O2/c1-2-5-9-8(14)10-6-3-4-7(13)12-11-6/h2-4H,1,5H2,(H,12,13)(H2,9,10,11,14)
InChIKeyBVFCWVUJGLVHBE-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.08
Rot. Bonds3

About 1-(6-oxo-1H-pyridazin-3-yl)-3-prop-2-enylurea

1-(6-oxo-1H-pyridazin-3-yl)-3-prop-2-enylurea (PubChem CID 108887387) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyridazin-3-yl)-3-prop-2-enylurea.

Molecular Properties

Compound Name1-(6-oxo-1H-pyridazin-3-yl)-3-prop-2-enylurea
PubChem CID108887387
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name1-(6-oxo-1H-pyridazin-3-yl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C8H10N4O2/c1-2-5-9-8(14)10-6-3-4-7(13)12-11-6/h2-4H,1,5H2,(H,12,13)(H2,9,10,11,14)
InChIKeyBVFCWVUJGLVHBE-UHFFFAOYSA-N
XLogP0.08
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.08
H-Bond Donors ≤ 53
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 1-(6-oxo-1H-pyridazin-3-yl)-3-prop-2-enylurea?
The IUPAC name of 1-(6-oxo-1H-pyridazin-3-yl)-3-prop-2-enylurea (CID 108887387) is 1-(6-oxo-1H-pyridazin-3-yl)-3-prop-2-enylurea.
What is the SMILES notation for 1-(6-oxo-1H-pyridazin-3-yl)-3-prop-2-enylurea?
The canonical SMILES for 1-(6-oxo-1H-pyridazin-3-yl)-3-prop-2-enylurea is C=CCNC(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 1-(6-oxo-1H-pyridazin-3-yl)-3-prop-2-enylurea?
The InChIKey is BVFCWVUJGLVHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-2-5-9-8(14)10-6-3-4-7(13)12-11-6/h2-4H,1,5H2,(H,12,13)(H2,9,10,11,14).
What are the key properties of 1-(6-oxo-1H-pyridazin-3-yl)-3-prop-2-enylurea?
1-(6-oxo-1H-pyridazin-3-yl)-3-prop-2-enylurea has a molecular weight of 194.19 g/mol, XLogP of 0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyridazin-3-yl)-3-prop-2-enylurea is sourced from PubChem (CID 108887387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).