2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]methyl]pyridazin-3-one

C11H13N5OS — CID 126926774

IUPAC2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESCc1nsc(N2CC(Cn3ncccc3=O)C2)n1
InChIInChI=1S/C11H13N5OS/c1-8-13-11(18-14-8)15-5-9(6-15)7-16-10(17)3-2-4-12-16/h2-4,9H,5-7H2,1H3
InChIKeyFSVSLKIBLXYUHF-UHFFFAOYSA-N
MW263.33 g/mol
LogP0.54
Rot. Bonds3

About 2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]methyl]pyridazin-3-one

2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126926774) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is 2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID126926774
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESCc1nsc(N2CC(Cn3ncccc3=O)C2)n1
InChIInChI=1S/C11H13N5OS/c1-8-13-11(18-14-8)15-5-9(6-15)7-16-10(17)3-2-4-12-16/h2-4,9H,5-7H2,1H3
InChIKeyFSVSLKIBLXYUHF-UHFFFAOYSA-N
XLogP0.54
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

2-(cyclopropylmethyl)pyridazin-3-one
CID 72682825
2-[(8-ethylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]pyridazin-3-one
CID 131658566
2-[[(6R)-8-ethylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one
CID 97463181
2-[[1-(6-methoxyquinolin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126926740
5-(3-ethylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole
CID 127447355
2-[[1-(quinoline-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126926685
5-[3-(chloromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 65273292
2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923353
5-[(3S)-3-ethylpiperidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 99811960
2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126926812
2-[[1-(4-methyl-1,3-thiazol-2-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929900
2-[[(6R)-8-(thiophen-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one
CID 97463160

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]methyl]pyridazin-3-one (CID 126926774) is 2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]methyl]pyridazin-3-one is Cc1nsc(N2CC(Cn3ncccc3=O)C2)n1.
What is the InChIKey of 2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is FSVSLKIBLXYUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-8-13-11(18-14-8)15-5-9(6-15)7-16-10(17)3-2-4-12-16/h2-4,9H,5-7H2,1H3.
What are the key properties of 2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]methyl]pyridazin-3-one?
2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 263.33 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126926774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).