1-[(Z)-2-(5-cyclopropyl-6-methoxypyridazin-3-yl)-3-oxoprop-1-enyl]-3-methylurea

C13H16N4O3 — CID 170013525

IUPAC1-[(Z)-2-(5-cyclopropyl-6-methoxypyridazin-3-yl)-3-oxoprop-1-enyl]-3-methylurea
SMILESCNC(=O)N/C=C(\C=O)c1cc(C2CC2)c(OC)nn1
InChIInChI=1S/C13H16N4O3/c1-14-13(19)15-6-9(7-18)11-5-10(8-3-4-8)12(20-2)17-16-11/h5-8H,3-4H2,1-2H3,(H2,14,15,19)/b9-6+
InChIKeyVWQLWHZJECAMEA-RMKNXTFCSA-N
MW276.30 g/mol
LogP0.83
Rot. Bonds5

About 1-[(Z)-2-(5-cyclopropyl-6-methoxypyridazin-3-yl)-3-oxoprop-1-enyl]-3-methylurea

1-[(Z)-2-(5-cyclopropyl-6-methoxypyridazin-3-yl)-3-oxoprop-1-enyl]-3-methylurea (PubChem CID 170013525) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-[(Z)-2-(5-cyclopropyl-6-methoxypyridazin-3-yl)-3-oxoprop-1-enyl]-3-methylurea.

Molecular Properties

Compound Name1-[(Z)-2-(5-cyclopropyl-6-methoxypyridazin-3-yl)-3-oxoprop-1-enyl]-3-methylurea
PubChem CID170013525
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name1-[(Z)-2-(5-cyclopropyl-6-methoxypyridazin-3-yl)-3-oxoprop-1-enyl]-3-methylurea
SMILESCNC(=O)N/C=C(\C=O)c1cc(C2CC2)c(OC)nn1
InChIInChI=1S/C13H16N4O3/c1-14-13(19)15-6-9(7-18)11-5-10(8-3-4-8)12(20-2)17-16-11/h5-8H,3-4H2,1-2H3,(H2,14,15,19)/b9-6+
InChIKeyVWQLWHZJECAMEA-RMKNXTFCSA-N
XLogP0.83
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[(Z)-2-(5-cyclopropyl-6-methoxypyridazin-3-yl)-3-oxoprop-1-enyl]-3-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-(5-cyclopropyl-6-methoxypyridazin-3-yl)-3-oxoprop-1-enyl]-3-methylurea?
The IUPAC name of 1-[(Z)-2-(5-cyclopropyl-6-methoxypyridazin-3-yl)-3-oxoprop-1-enyl]-3-methylurea (CID 170013525) is 1-[(Z)-2-(5-cyclopropyl-6-methoxypyridazin-3-yl)-3-oxoprop-1-enyl]-3-methylurea.
What is the SMILES notation for 1-[(Z)-2-(5-cyclopropyl-6-methoxypyridazin-3-yl)-3-oxoprop-1-enyl]-3-methylurea?
The canonical SMILES for 1-[(Z)-2-(5-cyclopropyl-6-methoxypyridazin-3-yl)-3-oxoprop-1-enyl]-3-methylurea is CNC(=O)N/C=C(\C=O)c1cc(C2CC2)c(OC)nn1.
What is the InChIKey of 1-[(Z)-2-(5-cyclopropyl-6-methoxypyridazin-3-yl)-3-oxoprop-1-enyl]-3-methylurea?
The InChIKey is VWQLWHZJECAMEA-RMKNXTFCSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-14-13(19)15-6-9(7-18)11-5-10(8-3-4-8)12(20-2)17-16-11/h5-8H,3-4H2,1-2H3,(H2,14,15,19)/b9-6+.
What are the key properties of 1-[(Z)-2-(5-cyclopropyl-6-methoxypyridazin-3-yl)-3-oxoprop-1-enyl]-3-methylurea?
1-[(Z)-2-(5-cyclopropyl-6-methoxypyridazin-3-yl)-3-oxoprop-1-enyl]-3-methylurea has a molecular weight of 276.30 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-(5-cyclopropyl-6-methoxypyridazin-3-yl)-3-oxoprop-1-enyl]-3-methylurea is sourced from PubChem (CID 170013525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).