1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]ethanone

C13H18N4O — CID 122269137

IUPAC1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc3c(nn2)CCC3)CC1
InChIInChI=1S/C13H18N4O/c1-10(18)16-5-7-17(8-6-16)13-9-11-3-2-4-12(11)14-15-13/h9H,2-8H2,1H3
InChIKeyIOTXUZLGASXOIG-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.63
Rot. Bonds1

About 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]ethanone

1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]ethanone (PubChem CID 122269137) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]ethanone
PubChem CID122269137
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc3c(nn2)CCC3)CC1
InChIInChI=1S/C13H18N4O/c1-10(18)16-5-7-17(8-6-16)13-9-11-3-2-4-12(11)14-15-13/h9H,2-8H2,1H3
InChIKeyIOTXUZLGASXOIG-UHFFFAOYSA-N
XLogP0.63
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]ethanone (CID 122269137) is 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc3c(nn2)CCC3)CC1.
What is the InChIKey of 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]ethanone?
The InChIKey is IOTXUZLGASXOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10(18)16-5-7-17(8-6-16)13-9-11-3-2-4-12(11)14-15-13/h9H,2-8H2,1H3.
What are the key properties of 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]ethanone?
1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]ethanone has a molecular weight of 246.31 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 122269137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).