2-[(1-cyclopentylazetidin-3-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one

C16H23N3OS — CID 126929025

IUPAC2-[(1-cyclopentylazetidin-3-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1CC1CN(C3CCCC3)C1)CCSC2
InChIInChI=1S/C16H23N3OS/c20-16-7-13-11-21-6-5-15(13)17-19(16)10-12-8-18(9-12)14-3-1-2-4-14/h7,12,14H,1-6,8-11H2
InChIKeyQJVAMKXHYBDNKZ-UHFFFAOYSA-N
MW305.45 g/mol
LogP1.91
Rot. Bonds3

About 2-[(1-cyclopentylazetidin-3-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one

2-[(1-cyclopentylazetidin-3-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one (PubChem CID 126929025) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-[(1-cyclopentylazetidin-3-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-[(1-cyclopentylazetidin-3-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
PubChem CID126929025
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name2-[(1-cyclopentylazetidin-3-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1CC1CN(C3CCCC3)C1)CCSC2
InChIInChI=1S/C16H23N3OS/c20-16-7-13-11-21-6-5-15(13)17-19(16)10-12-8-18(9-12)14-3-1-2-4-14/h7,12,14H,1-6,8-11H2
InChIKeyQJVAMKXHYBDNKZ-UHFFFAOYSA-N
XLogP1.91
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(1-cyclopentylazetidin-3-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one with MolForge

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Related Compounds

2-[[1-(1-methyl-2-oxopyrrolidin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126929165
2-[(1-cyclopentylpyrrolidin-2-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925370
2-[[1-(3-cyclopropylpyrazin-2-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126929186
2-[(1-methylpyrrolidin-2-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925583
2-[[1-(morpholine-4-carbonyl)azetidin-3-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126928957
2-[(1-cyclohexylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862802
2-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126929144
2-[[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126865118
4-[2-[3-[(3-oxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-2-yl)methyl]azetidin-1-yl]ethyl]morpholin-3-one
CID 126929155
2-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126929129
2-[[1-[(2-methylpyrimidin-4-yl)methyl]azetidin-3-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126929107
2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126929069

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopentylazetidin-3-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
The IUPAC name of 2-[(1-cyclopentylazetidin-3-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one (CID 126929025) is 2-[(1-cyclopentylazetidin-3-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-[(1-cyclopentylazetidin-3-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-[(1-cyclopentylazetidin-3-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one is O=c1cc2c(nn1CC1CN(C3CCCC3)C1)CCSC2.
What is the InChIKey of 2-[(1-cyclopentylazetidin-3-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
The InChIKey is QJVAMKXHYBDNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c20-16-7-13-11-21-6-5-15(13)17-19(16)10-12-8-18(9-12)14-3-1-2-4-14/h7,12,14H,1-6,8-11H2.
What are the key properties of 2-[(1-cyclopentylazetidin-3-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
2-[(1-cyclopentylazetidin-3-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one has a molecular weight of 305.45 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopentylazetidin-3-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one is sourced from PubChem (CID 126929025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).