4-chloro-2-(2-methoxyethyl)-5-(4-methylpentylamino)pyridazin-3-one

C13H22ClN3O2 — CID 115579123

IUPAC4-chloro-2-(2-methoxyethyl)-5-(4-methylpentylamino)pyridazin-3-one
SMILESCOCCn1ncc(NCCCC(C)C)c(Cl)c1=O
InChIInChI=1S/C13H22ClN3O2/c1-10(2)5-4-6-15-11-9-16-17(7-8-19-3)13(18)12(11)14/h9-10,15H,4-8H2,1-3H3
InChIKeyPCQBUXRFCXHVCN-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.39
Rot. Bonds8

About 4-chloro-2-(2-methoxyethyl)-5-(4-methylpentylamino)pyridazin-3-one

4-chloro-2-(2-methoxyethyl)-5-(4-methylpentylamino)pyridazin-3-one (PubChem CID 115579123) has the molecular formula C13H22ClN3O2 and a molecular weight of 287.79 g/mol. Its IUPAC name is 4-chloro-2-(2-methoxyethyl)-5-(4-methylpentylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2-methoxyethyl)-5-(4-methylpentylamino)pyridazin-3-one
PubChem CID115579123
Molecular FormulaC13H22ClN3O2
Molecular Weight287.79 g/mol
Exact Mass287.14
IUPAC Name4-chloro-2-(2-methoxyethyl)-5-(4-methylpentylamino)pyridazin-3-one
SMILESCOCCn1ncc(NCCCC(C)C)c(Cl)c1=O
InChIInChI=1S/C13H22ClN3O2/c1-10(2)5-4-6-15-11-9-16-17(7-8-19-3)13(18)12(11)14/h9-10,15H,4-8H2,1-3H3
InChIKeyPCQBUXRFCXHVCN-UHFFFAOYSA-N
XLogP2.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-(3-hydroxybutylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 113236537
2-butyl-4-chloro-5-(4-methylpentylamino)pyridazin-3-one
CID 114434651
4-chloro-2-(2-methoxyethyl)-5-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazin-3-one
CID 115681445
3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]propane-1-sulfonamide
CID 114436529
4-chloro-5-[2-(dimethylamino)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115573762
4-chloro-2-ethyl-5-(5-methylhexylamino)pyridazin-3-one
CID 114440676
4-chloro-5-[2-(2,2-difluoroethoxy)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 103081526
4-chloro-5-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 114439793
4-chloro-5-[2-[ethyl(methyl)amino]ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115898938
4-chloro-5-(hexan-2-ylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 114436918
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methoxyethyl)-5-(4-methylpentylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2-methoxyethyl)-5-(4-methylpentylamino)pyridazin-3-one (CID 115579123) is 4-chloro-2-(2-methoxyethyl)-5-(4-methylpentylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2-methoxyethyl)-5-(4-methylpentylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2-methoxyethyl)-5-(4-methylpentylamino)pyridazin-3-one is COCCn1ncc(NCCCC(C)C)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-(2-methoxyethyl)-5-(4-methylpentylamino)pyridazin-3-one?
The InChIKey is PCQBUXRFCXHVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O2/c1-10(2)5-4-6-15-11-9-16-17(7-8-19-3)13(18)12(11)14/h9-10,15H,4-8H2,1-3H3.
What are the key properties of 4-chloro-2-(2-methoxyethyl)-5-(4-methylpentylamino)pyridazin-3-one?
4-chloro-2-(2-methoxyethyl)-5-(4-methylpentylamino)pyridazin-3-one has a molecular weight of 287.79 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methoxyethyl)-5-(4-methylpentylamino)pyridazin-3-one is sourced from PubChem (CID 115579123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).