2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C16H26N4O2 — CID 126914469

IUPAC2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCOCCN1CCN(CCn2nc3c(cc2=O)CCC3)CC1
InChIInChI=1S/C16H26N4O2/c1-22-12-11-19-7-5-18(6-8-19)9-10-20-16(21)13-14-3-2-4-15(14)17-20/h13H,2-12H2,1H3
InChIKeyJJIVIXSWWVAROG-UHFFFAOYSA-N
MW306.41 g/mol
LogP-0.00
Rot. Bonds6

About 2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126914469) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126914469
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCOCCN1CCN(CCn2nc3c(cc2=O)CCC3)CC1
InChIInChI=1S/C16H26N4O2/c1-22-12-11-19-7-5-18(6-8-19)9-10-20-16(21)13-14-3-2-4-15(14)17-20/h13H,2-12H2,1H3
InChIKeyJJIVIXSWWVAROG-UHFFFAOYSA-N
XLogP-0.00
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126914469) is 2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is COCCN1CCN(CCn2nc3c(cc2=O)CCC3)CC1.
What is the InChIKey of 2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is JJIVIXSWWVAROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-22-12-11-19-7-5-18(6-8-19)9-10-20-16(21)13-14-3-2-4-15(14)17-20/h13H,2-12H2,1H3.
What are the key properties of 2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 306.41 g/mol, XLogP of -0.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126914469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).