2,3,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-b]pyridazin-4-one

C7H12N2O — CID 130133494

IUPAC2,3,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-b]pyridazin-4-one
SMILESO=C1CCNN2CCCC12
InChIInChI=1S/C7H12N2O/c10-7-3-4-8-9-5-1-2-6(7)9/h6,8H,1-5H2
InChIKeyJNRQFLJOXCRISB-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.07
Rot. Bonds

About 2,3,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-b]pyridazin-4-one

2,3,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-b]pyridazin-4-one (PubChem CID 130133494) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2,3,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-b]pyridazin-4-one.

Molecular Properties

Compound Name2,3,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-b]pyridazin-4-one
PubChem CID130133494
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2,3,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-b]pyridazin-4-one
SMILESO=C1CCNN2CCCC12
InChIInChI=1S/C7H12N2O/c10-7-3-4-8-9-5-1-2-6(7)9/h6,8H,1-5H2
InChIKeyJNRQFLJOXCRISB-UHFFFAOYSA-N
XLogP-0.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-b]pyridazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-b]pyridazin-4-one?
The IUPAC name of 2,3,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-b]pyridazin-4-one (CID 130133494) is 2,3,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-b]pyridazin-4-one.
What is the SMILES notation for 2,3,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-b]pyridazin-4-one?
The canonical SMILES for 2,3,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-b]pyridazin-4-one is O=C1CCNN2CCCC12.
What is the InChIKey of 2,3,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-b]pyridazin-4-one?
The InChIKey is JNRQFLJOXCRISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c10-7-3-4-8-9-5-1-2-6(7)9/h6,8H,1-5H2.
What are the key properties of 2,3,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-b]pyridazin-4-one?
2,3,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-b]pyridazin-4-one has a molecular weight of 140.19 g/mol, XLogP of -0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-b]pyridazin-4-one is sourced from PubChem (CID 130133494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).