5-(ethylamino)-2-(3-methoxy-3-methylbutyl)pyridazin-3-one

C12H21N3O2 — CID 103219202

IUPAC5-(ethylamino)-2-(3-methoxy-3-methylbutyl)pyridazin-3-one
SMILESCCNc1cnn(CCC(C)(C)OC)c(=O)c1
InChIInChI=1S/C12H21N3O2/c1-5-13-10-8-11(16)15(14-9-10)7-6-12(2,3)17-4/h8-9,13H,5-7H2,1-4H3
InChIKeyHQZQEPGWOFGTDF-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.49
Rot. Bonds6

About 5-(ethylamino)-2-(3-methoxy-3-methylbutyl)pyridazin-3-one

5-(ethylamino)-2-(3-methoxy-3-methylbutyl)pyridazin-3-one (PubChem CID 103219202) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-(ethylamino)-2-(3-methoxy-3-methylbutyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(ethylamino)-2-(3-methoxy-3-methylbutyl)pyridazin-3-one
PubChem CID103219202
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name5-(ethylamino)-2-(3-methoxy-3-methylbutyl)pyridazin-3-one
SMILESCCNc1cnn(CCC(C)(C)OC)c(=O)c1
InChIInChI=1S/C12H21N3O2/c1-5-13-10-8-11(16)15(14-9-10)7-6-12(2,3)17-4/h8-9,13H,5-7H2,1-4H3
InChIKeyHQZQEPGWOFGTDF-UHFFFAOYSA-N
XLogP1.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
3-methyl-N-(1-methyl-6-oxopyridazin-4-yl)butanamide
CID 176873099
5-Amino-2-(3-methoxypropyl)pyridazin-3-one
CID 103218207
5-Amino-2-(2-methylbutyl)pyridazin-3-one
CID 103218224
5-Amino-2-(3-methylbutyl)pyridazin-3-one
CID 103218247
2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methoxypropyl)acetamide
CID 103218290
5-Amino-2-(3,3-dimethylbutyl)pyridazin-3-one
CID 103218292
5-Amino-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
CID 103218372
2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutyl)acetamide
CID 103218399
5-Amino-2-(3-methoxy-3-methylbutyl)pyridazin-3-one
CID 103218417

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-2-(3-methoxy-3-methylbutyl)pyridazin-3-one?
The IUPAC name of 5-(ethylamino)-2-(3-methoxy-3-methylbutyl)pyridazin-3-one (CID 103219202) is 5-(ethylamino)-2-(3-methoxy-3-methylbutyl)pyridazin-3-one.
What is the SMILES notation for 5-(ethylamino)-2-(3-methoxy-3-methylbutyl)pyridazin-3-one?
The canonical SMILES for 5-(ethylamino)-2-(3-methoxy-3-methylbutyl)pyridazin-3-one is CCNc1cnn(CCC(C)(C)OC)c(=O)c1.
What is the InChIKey of 5-(ethylamino)-2-(3-methoxy-3-methylbutyl)pyridazin-3-one?
The InChIKey is HQZQEPGWOFGTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-13-10-8-11(16)15(14-9-10)7-6-12(2,3)17-4/h8-9,13H,5-7H2,1-4H3.
What are the key properties of 5-(ethylamino)-2-(3-methoxy-3-methylbutyl)pyridazin-3-one?
5-(ethylamino)-2-(3-methoxy-3-methylbutyl)pyridazin-3-one has a molecular weight of 239.32 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-2-(3-methoxy-3-methylbutyl)pyridazin-3-one is sourced from PubChem (CID 103219202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).