4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one

C14H20ClN3O2 — CID 103844265

IUPAC4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(NCCC2=CCCC2)c(Cl)c1=O
InChIInChI=1S/C14H20ClN3O2/c1-20-9-8-18-14(19)13(15)12(10-17-18)16-7-6-11-4-2-3-5-11/h4,10,16H,2-3,5-9H2,1H3
InChIKeyWMRWGDLKHFDHDD-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.46
Rot. Bonds7

About 4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one

4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one (PubChem CID 103844265) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
PubChem CID103844265
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(NCCC2=CCCC2)c(Cl)c1=O
InChIInChI=1S/C14H20ClN3O2/c1-20-9-8-18-14(19)13(15)12(10-17-18)16-7-6-11-4-2-3-5-11/h4,10,16H,2-3,5-9H2,1H3
InChIKeyWMRWGDLKHFDHDD-UHFFFAOYSA-N
XLogP2.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(2-methoxyethyl)-5-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridazin-3-one
CID 107488362
2-butyl-4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]pyridazin-3-one
CID 106177595
4-chloro-5-[2-(dimethylamino)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115573762
4-chloro-2-(2-methoxyethyl)-5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridazin-3-one
CID 104696007
4-chloro-2-(2-methoxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one
CID 115744819
4-chloro-2-(2-methoxyethyl)-5-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazin-3-one
CID 115681445
4-chloro-5-[(2-hydroxy-2-methylpropyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 113234186
4-chloro-2-(2-methoxyethyl)-5-(3-methylbutan-2-ylamino)pyridazin-3-one
CID 115619375
3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]propane-1-sulfonamide
CID 114436529
4-chloro-5-[2-(2,2-difluoroethoxy)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 103081526
4-chloro-5-[(1-hydroxycyclohexyl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115899027
4-chloro-2-(2-methoxyethyl)-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one
CID 114436261

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one (CID 103844265) is 4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one is COCCn1ncc(NCCC2=CCCC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one?
The InChIKey is WMRWGDLKHFDHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-20-9-8-18-14(19)13(15)12(10-17-18)16-7-6-11-4-2-3-5-11/h4,10,16H,2-3,5-9H2,1H3.
What are the key properties of 4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one?
4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one has a molecular weight of 297.79 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one is sourced from PubChem (CID 103844265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).