2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one

C18H26N4O3S — CID 126915203

IUPAC2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
SMILESO=C(C1CCCO1)N1CCN(CCn2nc3c(cc2=O)CSCC3)CC1
InChIInChI=1S/C18H26N4O3S/c23-17-12-14-13-26-11-3-15(14)19-22(17)9-6-20-4-7-21(8-5-20)18(24)16-2-1-10-25-16/h12,16H,1-11,13H2
InChIKeyTYXOPAMWKILECZ-UHFFFAOYSA-N
MW378.50 g/mol
LogP0.36
Rot. Bonds4

About 2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one

2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one (PubChem CID 126915203) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
PubChem CID126915203
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
SMILESO=C(C1CCCO1)N1CCN(CCn2nc3c(cc2=O)CSCC3)CC1
InChIInChI=1S/C18H26N4O3S/c23-17-12-14-13-26-11-3-15(14)19-22(17)9-6-20-4-7-21(8-5-20)18(24)16-2-1-10-25-16/h12,16H,1-11,13H2
InChIKeyTYXOPAMWKILECZ-UHFFFAOYSA-N
XLogP0.36
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one with MolForge

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Related Compounds

6-methyl-2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913559
2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126915278
2-[2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126915217
2-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126915379
2-[2-[4-(3,4-dihydro-1H-isochromene-3-carbonyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914400
2-[2-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126915341
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113073657
2-[2-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126915251
2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 56808191
2-[2-[4-(1,1-dioxothiolane-3-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126914808
2-methyl-N-[[1-[2-(3-oxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]pyrazole-3-carboxamide
CID 126938526
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 63308795

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
The IUPAC name of 2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one (CID 126915203) is 2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one is O=C(C1CCCO1)N1CCN(CCn2nc3c(cc2=O)CSCC3)CC1.
What is the InChIKey of 2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
The InChIKey is TYXOPAMWKILECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c23-17-12-14-13-26-11-3-15(14)19-22(17)9-6-20-4-7-21(8-5-20)18(24)16-2-1-10-25-16/h12,16H,1-11,13H2.
What are the key properties of 2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one has a molecular weight of 378.50 g/mol, XLogP of 0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one is sourced from PubChem (CID 126915203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).