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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Related Compounds

1-[2-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea
CID 140514499
1-(1,2-oxazol-5-yl)-3-prop-2-enylurea
CID 108814101
1-(4-hydroxyphenyl)-3-prop-2-enylurea
CID 67731511
2-cyano-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide
CID 116787078
1-(3,4-dimethoxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887187
N-(2-aminoethyl)-N-[(6-oxo-1H-pyridazin-3-yl)carbamoyl]acetamide
CID 108887446
N-(6-oxo-1H-pyridazin-3-yl)-2-thiophen-3-ylacetamide
CID 99792379
1-(4-phenylphenyl)-3-prop-2-enylurea
CID 23990496
1-(3-ethylthieno[3,2-b]pyridin-5-yl)-3-prop-2-enylurea
CID 57132625
N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide
CID 108887313
6-amino-4,4-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide
CID 116786923
2-amino-N-(6-oxo-1H-pyridazin-3-yl)hexanamide
CID 104893300

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).