2-(4-methoxybutyl)-5-(2-methylpropylamino)pyridazin-3-one

C13H23N3O2 — CID 103221492

IUPAC2-(4-methoxybutyl)-5-(2-methylpropylamino)pyridazin-3-one
SMILESCOCCCCn1ncc(NCC(C)C)cc1=O
InChIInChI=1S/C13H23N3O2/c1-11(2)9-14-12-8-13(17)16(15-10-12)6-4-5-7-18-3/h8,10-11,14H,4-7,9H2,1-3H3
InChIKeyJUVSHBUDFVAYJC-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.74
Rot. Bonds8

About 2-(4-methoxybutyl)-5-(2-methylpropylamino)pyridazin-3-one

2-(4-methoxybutyl)-5-(2-methylpropylamino)pyridazin-3-one (PubChem CID 103221492) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(4-methoxybutyl)-5-(2-methylpropylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(4-methoxybutyl)-5-(2-methylpropylamino)pyridazin-3-one
PubChem CID103221492
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-(4-methoxybutyl)-5-(2-methylpropylamino)pyridazin-3-one
SMILESCOCCCCn1ncc(NCC(C)C)cc1=O
InChIInChI=1S/C13H23N3O2/c1-11(2)9-14-12-8-13(17)16(15-10-12)6-4-5-7-18-3/h8,10-11,14H,4-7,9H2,1-3H3
InChIKeyJUVSHBUDFVAYJC-UHFFFAOYSA-N
XLogP1.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.74
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

5-(Ethylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103219178
5-(Propylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103220334
5-(2-Methylpropylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103221686
5-(2-Methylpropylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103221711
5-(Cyclopropylmethylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103221971
3-methyl-N-(1-methyl-6-oxopyridazin-4-yl)butanamide
CID 176873099
2-(4-Hydroxybutyl)-5-(methylamino)pyridazin-3-one
CID 10352676
2-[2-(Ethylaminomethyl)prop-2-enyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 103073071
5-[2-Methoxyethyl(methyl)amino]-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073073
5-Amino-2-(2-methylpropyl)pyridazin-3-one
CID 103218168
5-Amino-2-(4-methoxybutyl)pyridazin-3-one
CID 103218204
5-Amino-2-(3-methoxypropyl)pyridazin-3-one
CID 103218207

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybutyl)-5-(2-methylpropylamino)pyridazin-3-one?
The IUPAC name of 2-(4-methoxybutyl)-5-(2-methylpropylamino)pyridazin-3-one (CID 103221492) is 2-(4-methoxybutyl)-5-(2-methylpropylamino)pyridazin-3-one.
What is the SMILES notation for 2-(4-methoxybutyl)-5-(2-methylpropylamino)pyridazin-3-one?
The canonical SMILES for 2-(4-methoxybutyl)-5-(2-methylpropylamino)pyridazin-3-one is COCCCCn1ncc(NCC(C)C)cc1=O.
What is the InChIKey of 2-(4-methoxybutyl)-5-(2-methylpropylamino)pyridazin-3-one?
The InChIKey is JUVSHBUDFVAYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-11(2)9-14-12-8-13(17)16(15-10-12)6-4-5-7-18-3/h8,10-11,14H,4-7,9H2,1-3H3.
What are the key properties of 2-(4-methoxybutyl)-5-(2-methylpropylamino)pyridazin-3-one?
2-(4-methoxybutyl)-5-(2-methylpropylamino)pyridazin-3-one has a molecular weight of 253.35 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybutyl)-5-(2-methylpropylamino)pyridazin-3-one is sourced from PubChem (CID 103221492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).