2-[[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C18H17N5O2S — CID 126928099

IUPAC2-[[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=C(c1ccc2nsnc2c1)N1CC(Cn2nc3c(cc2=O)CCC3)C1
InChIInChI=1S/C18H17N5O2S/c24-17-7-12-2-1-3-14(12)19-23(17)10-11-8-22(9-11)18(25)13-4-5-15-16(6-13)21-26-20-15/h4-7,11H,1-3,8-10H2
InChIKeyQOBQAJXTHCQLFH-UHFFFAOYSA-N
MW367.43 g/mol
LogP1.51
Rot. Bonds3

About 2-[[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126928099) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-[[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126928099
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name2-[[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=C(c1ccc2nsnc2c1)N1CC(Cn2nc3c(cc2=O)CCC3)C1
InChIInChI=1S/C18H17N5O2S/c24-17-7-12-2-1-3-14(12)19-23(17)10-11-8-22(9-11)18(25)13-4-5-15-16(6-13)21-26-20-15/h4-7,11H,1-3,8-10H2
InChIKeyQOBQAJXTHCQLFH-UHFFFAOYSA-N
XLogP1.51
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[1-(1-methylindazole-3-carbonyl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928146
2-[[1-(2-methyl-3H-benzimidazole-5-carbonyl)azetidin-3-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126928982
N-cyclopentyl-3-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]azetidine-1-carboxamide
CID 126928517
2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928494
2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928177
3-[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 91814801
2-[[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928490
2-[(1-benzylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928895
2-[[1-(6-fluoroquinazolin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928446
2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928592
2-[[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862679
2-[[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862761

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126928099) is 2-[[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is O=C(c1ccc2nsnc2c1)N1CC(Cn2nc3c(cc2=O)CCC3)C1.
What is the InChIKey of 2-[[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is QOBQAJXTHCQLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c24-17-7-12-2-1-3-14(12)19-23(17)10-11-8-22(9-11)18(25)13-4-5-15-16(6-13)21-26-20-15/h4-7,11H,1-3,8-10H2.
What are the key properties of 2-[[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 367.43 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126928099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).