5-amino-2-(2-methylbutyl)pyridazin-3-one

C9H15N3O — CID 103218224

IUPAC5-amino-2-(2-methylbutyl)pyridazin-3-one
SMILESCCC(C)Cn1ncc(N)cc1=O
InChIInChI=1S/C9H15N3O/c1-3-7(2)6-12-9(13)4-8(10)5-11-12/h4-5,7H,3,6,10H2,1-2H3
InChIKeyKPEYLYNSQLLSJC-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.87
Rot. Bonds3

About 5-amino-2-(2-methylbutyl)pyridazin-3-one

5-amino-2-(2-methylbutyl)pyridazin-3-one (PubChem CID 103218224) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-amino-2-(2-methylbutyl)pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-(2-methylbutyl)pyridazin-3-one
PubChem CID103218224
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-amino-2-(2-methylbutyl)pyridazin-3-one
SMILESCCC(C)Cn1ncc(N)cc1=O
InChIInChI=1S/C9H15N3O/c1-3-7(2)6-12-9(13)4-8(10)5-11-12/h4-5,7H,3,6,10H2,1-2H3
InChIKeyKPEYLYNSQLLSJC-UHFFFAOYSA-N
XLogP0.87
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-methylbutyl)pyridazin-3-one?
The IUPAC name of 5-amino-2-(2-methylbutyl)pyridazin-3-one (CID 103218224) is 5-amino-2-(2-methylbutyl)pyridazin-3-one.
What is the SMILES notation for 5-amino-2-(2-methylbutyl)pyridazin-3-one?
The canonical SMILES for 5-amino-2-(2-methylbutyl)pyridazin-3-one is CCC(C)Cn1ncc(N)cc1=O.
What is the InChIKey of 5-amino-2-(2-methylbutyl)pyridazin-3-one?
The InChIKey is KPEYLYNSQLLSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-7(2)6-12-9(13)4-8(10)5-11-12/h4-5,7H,3,6,10H2,1-2H3.
What are the key properties of 5-amino-2-(2-methylbutyl)pyridazin-3-one?
5-amino-2-(2-methylbutyl)pyridazin-3-one has a molecular weight of 181.24 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-methylbutyl)pyridazin-3-one is sourced from PubChem (CID 103218224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).