5-(methylamino)-2-(2-methylpropyl)pyridazin-3-one

C9H15N3O — CID 103218450

IUPAC5-(methylamino)-2-(2-methylpropyl)pyridazin-3-one
SMILESCNc1cnn(CC(C)C)c(=O)c1
InChIInChI=1S/C9H15N3O/c1-7(2)6-12-9(13)4-8(10-3)5-11-12/h4-5,7,10H,6H2,1-3H3
InChIKeySGSAPRRWQGZPEL-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.94
Rot. Bonds3

About 5-(methylamino)-2-(2-methylpropyl)pyridazin-3-one

5-(methylamino)-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 103218450) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-(methylamino)-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(methylamino)-2-(2-methylpropyl)pyridazin-3-one
PubChem CID103218450
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-(methylamino)-2-(2-methylpropyl)pyridazin-3-one
SMILESCNc1cnn(CC(C)C)c(=O)c1
InChIInChI=1S/C9H15N3O/c1-7(2)6-12-9(13)4-8(10-3)5-11-12/h4-5,7,10H,6H2,1-3H3
InChIKeySGSAPRRWQGZPEL-UHFFFAOYSA-N
XLogP0.94
TPSA46.92 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 ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 5-(methylamino)-2-(2-methylpropyl)pyridazin-3-one (CID 103218450) is 5-(methylamino)-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-(methylamino)-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 5-(methylamino)-2-(2-methylpropyl)pyridazin-3-one is CNc1cnn(CC(C)C)c(=O)c1.
What is the InChIKey of 5-(methylamino)-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is SGSAPRRWQGZPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(2)6-12-9(13)4-8(10-3)5-11-12/h4-5,7,10H,6H2,1-3H3.
What are the key properties of 5-(methylamino)-2-(2-methylpropyl)pyridazin-3-one?
5-(methylamino)-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 181.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 103218450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).