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

C16H22N4O3S — CID 121023221

IUPAC[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
SMILESO=C(C1CCS(=O)(=O)C1)N1CCN(c2cc3c(nn2)CCC3)CC1
InChIInChI=1S/C16H22N4O3S/c21-16(13-4-9-24(22,23)11-13)20-7-5-19(6-8-20)15-10-12-2-1-3-14(12)17-18-15/h10,13H,1-9,11H2
InChIKeyFEYBFWDAVADHSG-UHFFFAOYSA-N
MW350.44 g/mol
LogP0.05
Rot. Bonds2

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

[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone (PubChem CID 121023221) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone.

Molecular Properties

Compound Name[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
PubChem CID121023221
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
SMILESO=C(C1CCS(=O)(=O)C1)N1CCN(c2cc3c(nn2)CCC3)CC1
InChIInChI=1S/C16H22N4O3S/c21-16(13-4-9-24(22,23)11-13)20-7-5-19(6-8-20)15-10-12-2-1-3-14(12)17-18-15/h10,13H,1-9,11H2
InChIKeyFEYBFWDAVADHSG-UHFFFAOYSA-N
XLogP0.05
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone?
The IUPAC name of [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone (CID 121023221) is [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone.
What is the SMILES notation for [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone?
The canonical SMILES for [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone is O=C(C1CCS(=O)(=O)C1)N1CCN(c2cc3c(nn2)CCC3)CC1.
What is the InChIKey of [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone?
The InChIKey is FEYBFWDAVADHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c21-16(13-4-9-24(22,23)11-13)20-7-5-19(6-8-20)15-10-12-2-1-3-14(12)17-18-15/h10,13H,1-9,11H2.
What are the key properties of [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone?
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone has a molecular weight of 350.44 g/mol, XLogP of 0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone is sourced from PubChem (CID 121023221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).