1-(cyclohex-3-en-1-ylmethyl)-3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]urea

C17H26N4O2 — CID 84589851

IUPAC1-(cyclohex-3-en-1-ylmethyl)-3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]urea
SMILESCCc1n[nH]c(=O)c(CNC(=O)NCC2CC=CCC2)c1CC
InChIInChI=1S/C17H26N4O2/c1-3-13-14(16(22)21-20-15(13)4-2)11-19-17(23)18-10-12-8-6-5-7-9-12/h5-6,12H,3-4,7-11H2,1-2H3,(H,21,22)(H2,18,19,23)
InChIKeyNUNZNKOZPYKLKH-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.05
Rot. Bonds6

About 1-(cyclohex-3-en-1-ylmethyl)-3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]urea

1-(cyclohex-3-en-1-ylmethyl)-3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]urea (PubChem CID 84589851) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]urea
PubChem CID84589851
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]urea
SMILESCCc1n[nH]c(=O)c(CNC(=O)NCC2CC=CCC2)c1CC
InChIInChI=1S/C17H26N4O2/c1-3-13-14(16(22)21-20-15(13)4-2)11-19-17(23)18-10-12-8-6-5-7-9-12/h5-6,12H,3-4,7-11H2,1-2H3,(H,21,22)(H2,18,19,23)
InChIKeyNUNZNKOZPYKLKH-UHFFFAOYSA-N
XLogP2.05
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(cyclohex-3-en-1-ylmethyl)-3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]urea 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-(cyclohex-3-en-1-ylmethyl)-3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]urea?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]urea (CID 84589851) is 1-(cyclohex-3-en-1-ylmethyl)-3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]urea.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]urea?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]urea is CCc1n[nH]c(=O)c(CNC(=O)NCC2CC=CCC2)c1CC.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]urea?
The InChIKey is NUNZNKOZPYKLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-3-13-14(16(22)21-20-15(13)4-2)11-19-17(23)18-10-12-8-6-5-7-9-12/h5-6,12H,3-4,7-11H2,1-2H3,(H,21,22)(H2,18,19,23).
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]urea?
1-(cyclohex-3-en-1-ylmethyl)-3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]urea has a molecular weight of 318.42 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-3-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]urea is sourced from PubChem (CID 84589851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).