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

C19H26N6OS — CID 126914655

IUPAC2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1CCN1CCN(c3nc(C4CCC4)ns3)CC1)CCC2
InChIInChI=1S/C19H26N6OS/c26-17-13-15-5-2-6-16(15)21-25(17)12-9-23-7-10-24(11-8-23)19-20-18(22-27-19)14-3-1-4-14/h13-14H,1-12H2
InChIKeyLHWXVESHUZQOCM-UHFFFAOYSA-N
MW386.53 g/mol
LogP1.67
Rot. Bonds5

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

2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126914655) has the molecular formula C19H26N6OS and a molecular weight of 386.53 g/mol. Its IUPAC name is 2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126914655
Molecular FormulaC19H26N6OS
Molecular Weight386.53 g/mol
Exact Mass386.19
IUPAC Name2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1CCN1CCN(c3nc(C4CCC4)ns3)CC1)CCC2
InChIInChI=1S/C19H26N6OS/c26-17-13-15-5-2-6-16(15)21-25(17)12-9-23-7-10-24(11-8-23)19-20-18(22-27-19)14-3-1-4-14/h13-14H,1-12H2
InChIKeyLHWXVESHUZQOCM-UHFFFAOYSA-N
XLogP1.67
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126914655) is 2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is O=c1cc2c(nn1CCN1CCN(c3nc(C4CCC4)ns3)CC1)CCC2.
What is the InChIKey of 2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is LHWXVESHUZQOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6OS/c26-17-13-15-5-2-6-16(15)21-25(17)12-9-23-7-10-24(11-8-23)19-20-18(22-27-19)14-3-1-4-14/h13-14H,1-12H2.
What are the key properties of 2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 386.53 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126914655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).