1-cyclopropyl-3-[6-(2-methoxyethylamino)pyridazin-3-yl]urea

C11H17N5O2 — CID 113039466

IUPAC1-cyclopropyl-3-[6-(2-methoxyethylamino)pyridazin-3-yl]urea
SMILESCOCCNc1ccc(NC(=O)NC2CC2)nn1
InChIInChI=1S/C11H17N5O2/c1-18-7-6-12-9-4-5-10(16-15-9)14-11(17)13-8-2-3-8/h4-5,8H,2-3,6-7H2,1H3,(H,12,15)(H2,13,14,16,17)
InChIKeyCXQNSKQFALAXEV-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.82
Rot. Bonds6

About 1-cyclopropyl-3-[6-(2-methoxyethylamino)pyridazin-3-yl]urea

1-cyclopropyl-3-[6-(2-methoxyethylamino)pyridazin-3-yl]urea (PubChem CID 113039466) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-cyclopropyl-3-[6-(2-methoxyethylamino)pyridazin-3-yl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[6-(2-methoxyethylamino)pyridazin-3-yl]urea
PubChem CID113039466
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name1-cyclopropyl-3-[6-(2-methoxyethylamino)pyridazin-3-yl]urea
SMILESCOCCNc1ccc(NC(=O)NC2CC2)nn1
InChIInChI=1S/C11H17N5O2/c1-18-7-6-12-9-4-5-10(16-15-9)14-11(17)13-8-2-3-8/h4-5,8H,2-3,6-7H2,1H3,(H,12,15)(H2,13,14,16,17)
InChIKeyCXQNSKQFALAXEV-UHFFFAOYSA-N
XLogP0.82
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]urea
CID 113042810
N-cyclohexyl-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109112980
N-[6-(2-methoxyethylamino)pyridazin-3-yl]propanamide
CID 113039391
1-cyclopropyl-3-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]urea
CID 113043387
4-tert-butyl-N-[6-(2-methoxyethylamino)pyridazin-3-yl]benzamide
CID 113039421
2-ethyl-N-[6-(2-methoxyethylamino)pyridazin-3-yl]butanamide
CID 113039400
N-(1,1-dioxothiolan-3-yl)-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113749
1-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-3-cyclopropylurea
CID 113045279
1-cyclopropyl-3-[6-(dipropylamino)pyridazin-3-yl]urea
CID 113045192
1-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-cyclohexylurea
CID 113039355
ethyl 4-[[6-(cyclopropylcarbamoylamino)pyridazin-3-yl]amino]piperidine-1-carboxylate
CID 113043558
2-(2-fluorophenyl)-N-[6-(2-methoxyethylamino)pyridazin-3-yl]acetamide
CID 113039450

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[6-(2-methoxyethylamino)pyridazin-3-yl]urea?
The IUPAC name of 1-cyclopropyl-3-[6-(2-methoxyethylamino)pyridazin-3-yl]urea (CID 113039466) is 1-cyclopropyl-3-[6-(2-methoxyethylamino)pyridazin-3-yl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[6-(2-methoxyethylamino)pyridazin-3-yl]urea?
The canonical SMILES for 1-cyclopropyl-3-[6-(2-methoxyethylamino)pyridazin-3-yl]urea is COCCNc1ccc(NC(=O)NC2CC2)nn1.
What is the InChIKey of 1-cyclopropyl-3-[6-(2-methoxyethylamino)pyridazin-3-yl]urea?
The InChIKey is CXQNSKQFALAXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-18-7-6-12-9-4-5-10(16-15-9)14-11(17)13-8-2-3-8/h4-5,8H,2-3,6-7H2,1H3,(H,12,15)(H2,13,14,16,17).
What are the key properties of 1-cyclopropyl-3-[6-(2-methoxyethylamino)pyridazin-3-yl]urea?
1-cyclopropyl-3-[6-(2-methoxyethylamino)pyridazin-3-yl]urea has a molecular weight of 251.29 g/mol, XLogP of 0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[6-(2-methoxyethylamino)pyridazin-3-yl]urea is sourced from PubChem (CID 113039466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).