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

C7H12N2O — CID 54106005

IUPAC2,3,4,4a,6,7-hexahydro-1H-pyrrolo[1,2-b]pyridazin-5-one
SMILESO=C1CCN2NCCCC12
InChIInChI=1S/C7H12N2O/c10-7-3-5-9-6(7)2-1-4-8-9/h6,8H,1-5H2
InChIKeyNDUVAUZKSVDDPL-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.07
Rot. Bonds

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

2,3,4,4a,6,7-hexahydro-1H-pyrrolo[1,2-b]pyridazin-5-one (PubChem CID 54106005) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2,3,4,4a,6,7-hexahydro-1H-pyrrolo[1,2-b]pyridazin-5-one.

Molecular Properties

Compound Name2,3,4,4a,6,7-hexahydro-1H-pyrrolo[1,2-b]pyridazin-5-one
PubChem CID54106005
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2,3,4,4a,6,7-hexahydro-1H-pyrrolo[1,2-b]pyridazin-5-one
SMILESO=C1CCN2NCCCC12
InChIInChI=1S/C7H12N2O/c10-7-3-5-9-6(7)2-1-4-8-9/h6,8H,1-5H2
InChIKeyNDUVAUZKSVDDPL-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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,6,7-hexahydro-1H-pyrrolo[1,2-b]pyridazin-5-one?
The IUPAC name of 2,3,4,4a,6,7-hexahydro-1H-pyrrolo[1,2-b]pyridazin-5-one (CID 54106005) is 2,3,4,4a,6,7-hexahydro-1H-pyrrolo[1,2-b]pyridazin-5-one.
What is the SMILES notation for 2,3,4,4a,6,7-hexahydro-1H-pyrrolo[1,2-b]pyridazin-5-one?
The canonical SMILES for 2,3,4,4a,6,7-hexahydro-1H-pyrrolo[1,2-b]pyridazin-5-one is O=C1CCN2NCCCC12.
What is the InChIKey of 2,3,4,4a,6,7-hexahydro-1H-pyrrolo[1,2-b]pyridazin-5-one?
The InChIKey is NDUVAUZKSVDDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c10-7-3-5-9-6(7)2-1-4-8-9/h6,8H,1-5H2.
What are the key properties of 2,3,4,4a,6,7-hexahydro-1H-pyrrolo[1,2-b]pyridazin-5-one?
2,3,4,4a,6,7-hexahydro-1H-pyrrolo[1,2-b]pyridazin-5-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 2,3,4,4a,6,7-hexahydro-1H-pyrrolo[1,2-b]pyridazin-5-one is sourced from PubChem (CID 54106005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).