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

C11H19N3O2 — CID 103218770

IUPAC2-(3-methoxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(CCC(C)(C)OC)c(=O)c1
InChIInChI=1S/C11H19N3O2/c1-11(2,16-4)5-6-14-10(15)7-9(12-3)8-13-14/h7-8,12H,5-6H2,1-4H3
InChIKeyPUZRCJFOCCNFDG-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.10
Rot. Bonds5

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

2-(3-methoxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one (PubChem CID 103218770) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-methoxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one
PubChem CID103218770
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-(3-methoxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(CCC(C)(C)OC)c(=O)c1
InChIInChI=1S/C11H19N3O2/c1-11(2,16-4)5-6-14-10(15)7-9(12-3)8-13-14/h7-8,12H,5-6H2,1-4H3
InChIKeyPUZRCJFOCCNFDG-UHFFFAOYSA-N
XLogP1.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.10
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 2-(3-methoxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one?
The IUPAC name of 2-(3-methoxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one (CID 103218770) is 2-(3-methoxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one.
What is the SMILES notation for 2-(3-methoxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one?
The canonical SMILES for 2-(3-methoxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one is CNc1cnn(CCC(C)(C)OC)c(=O)c1.
What is the InChIKey of 2-(3-methoxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one?
The InChIKey is PUZRCJFOCCNFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(2,16-4)5-6-14-10(15)7-9(12-3)8-13-14/h7-8,12H,5-6H2,1-4H3.
What are the key properties of 2-(3-methoxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one?
2-(3-methoxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one has a molecular weight of 225.29 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one is sourced from PubChem (CID 103218770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).