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

C11H17N3O — CID 62849626

IUPAC2-[4-(cyclopropylamino)butyl]pyridazin-3-one
SMILESO=c1cccnn1CCCCNC1CC1
InChIInChI=1S/C11H17N3O/c15-11-4-3-8-13-14(11)9-2-1-7-12-10-5-6-10/h3-4,8,10,12H,1-2,5-7,9H2
InChIKeyWRINPRRLNUAGPS-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.78
Rot. Bonds6

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

2-[4-(cyclopropylamino)butyl]pyridazin-3-one (PubChem CID 62849626) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-[4-(cyclopropylamino)butyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-(cyclopropylamino)butyl]pyridazin-3-one
PubChem CID62849626
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-[4-(cyclopropylamino)butyl]pyridazin-3-one
SMILESO=c1cccnn1CCCCNC1CC1
InChIInChI=1S/C11H17N3O/c15-11-4-3-8-13-14(11)9-2-1-7-12-10-5-6-10/h3-4,8,10,12H,1-2,5-7,9H2
InChIKeyWRINPRRLNUAGPS-UHFFFAOYSA-N
XLogP0.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.78
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-(cyclopropylamino)butyl]pyridazin-3-one?
The IUPAC name of 2-[4-(cyclopropylamino)butyl]pyridazin-3-one (CID 62849626) is 2-[4-(cyclopropylamino)butyl]pyridazin-3-one.
What is the SMILES notation for 2-[4-(cyclopropylamino)butyl]pyridazin-3-one?
The canonical SMILES for 2-[4-(cyclopropylamino)butyl]pyridazin-3-one is O=c1cccnn1CCCCNC1CC1.
What is the InChIKey of 2-[4-(cyclopropylamino)butyl]pyridazin-3-one?
The InChIKey is WRINPRRLNUAGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c15-11-4-3-8-13-14(11)9-2-1-7-12-10-5-6-10/h3-4,8,10,12H,1-2,5-7,9H2.
What are the key properties of 2-[4-(cyclopropylamino)butyl]pyridazin-3-one?
2-[4-(cyclopropylamino)butyl]pyridazin-3-one has a molecular weight of 207.28 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylamino)butyl]pyridazin-3-one is sourced from PubChem (CID 62849626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).