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

C17H17N5OS2 — CID 126929081

IUPAC2-[(1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1CC1CN(c3ncnc4ccsc34)C1)CCSC2
InChIInChI=1S/C17H17N5OS2/c23-15-5-12-9-24-3-1-13(12)20-22(15)8-11-6-21(7-11)17-16-14(2-4-25-16)18-10-19-17/h2,4-5,10-11H,1,3,6-9H2
InChIKeyHIYFXHHONNAIOV-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.17
Rot. Bonds3

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

2-[(1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one (PubChem CID 126929081) has the molecular formula C17H17N5OS2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-[(1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-[(1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
PubChem CID126929081
Molecular FormulaC17H17N5OS2
Molecular Weight371.49 g/mol
Exact Mass371.09
IUPAC Name2-[(1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1CC1CN(c3ncnc4ccsc34)C1)CCSC2
InChIInChI=1S/C17H17N5OS2/c23-15-5-12-9-24-3-1-13(12)20-22(15)8-11-6-21(7-11)17-16-14(2-4-25-16)18-10-19-17/h2,4-5,10-11H,1,3,6-9H2
InChIKeyHIYFXHHONNAIOV-UHFFFAOYSA-N
XLogP2.17
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

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-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126929069
2-[[1-(6-fluoroquinazolin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928446
2-[(1-cyclopentylazetidin-3-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126929025
2-[[1-(2-propan-2-ylpyrimidin-4-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126929180
2-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126929018
2-[2-(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126915476
1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-amine;dihydrochloride
CID 146077996
2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126929230
2-[[1-(morpholine-4-carbonyl)azetidin-3-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126928957
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-[(5-methyl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126929126

Frequently Asked Questions

What is the IUPAC name of 2-[(1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
The IUPAC name of 2-[(1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one (CID 126929081) is 2-[(1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-[(1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-[(1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one is O=c1cc2c(nn1CC1CN(c3ncnc4ccsc34)C1)CCSC2.
What is the InChIKey of 2-[(1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
The InChIKey is HIYFXHHONNAIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS2/c23-15-5-12-9-24-3-1-13(12)20-22(15)8-11-6-21(7-11)17-16-14(2-4-25-16)18-10-19-17/h2,4-5,10-11H,1,3,6-9H2.
What are the key properties of 2-[(1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
2-[(1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one has a molecular weight of 371.49 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one is sourced from PubChem (CID 126929081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).