2-[4-(methylamino)butyl]pyridazin-3-one

C9H15N3O — CID 62849447

IUPAC2-[4-(methylamino)butyl]pyridazin-3-one
SMILESCNCCCCn1ncccc1=O
InChIInChI=1S/C9H15N3O/c1-10-6-2-3-8-12-9(13)5-4-7-11-12/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeyKOYLSBNROJGVPD-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.24
Rot. Bonds5

About 2-[4-(methylamino)butyl]pyridazin-3-one

2-[4-(methylamino)butyl]pyridazin-3-one (PubChem CID 62849447) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-[4-(methylamino)butyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-(methylamino)butyl]pyridazin-3-one
PubChem CID62849447
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-[4-(methylamino)butyl]pyridazin-3-one
SMILESCNCCCCn1ncccc1=O
InChIInChI=1S/C9H15N3O/c1-10-6-2-3-8-12-9(13)5-4-7-11-12/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeyKOYLSBNROJGVPD-UHFFFAOYSA-N
XLogP0.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)butyl]pyridazin-3-one?
The IUPAC name of 2-[4-(methylamino)butyl]pyridazin-3-one (CID 62849447) is 2-[4-(methylamino)butyl]pyridazin-3-one.
What is the SMILES notation for 2-[4-(methylamino)butyl]pyridazin-3-one?
The canonical SMILES for 2-[4-(methylamino)butyl]pyridazin-3-one is CNCCCCn1ncccc1=O.
What is the InChIKey of 2-[4-(methylamino)butyl]pyridazin-3-one?
The InChIKey is KOYLSBNROJGVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-10-6-2-3-8-12-9(13)5-4-7-11-12/h4-5,7,10H,2-3,6,8H2,1H3.
What are the key properties of 2-[4-(methylamino)butyl]pyridazin-3-one?
2-[4-(methylamino)butyl]pyridazin-3-one has a molecular weight of 181.24 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)butyl]pyridazin-3-one is sourced from PubChem (CID 62849447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).