3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]oxolan-2-one

C15H13N3O2S — CID 2999179

IUPAC3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]oxolan-2-one
SMILESCc1cc2nnc(SC3CCOC3=O)n2c2ccccc12
InChIInChI=1S/C15H13N3O2S/c1-9-8-13-16-17-15(21-12-6-7-20-14(12)19)18(13)11-5-3-2-4-10(9)11/h2-5,8,12H,6-7H2,1H3
InChIKeyRCNKGMDBJGCTNU-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.60
Rot. Bonds2

About 3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]oxolan-2-one

3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]oxolan-2-one (PubChem CID 2999179) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]oxolan-2-one.

Molecular Properties

Compound Name3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]oxolan-2-one
PubChem CID2999179
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]oxolan-2-one
SMILESCc1cc2nnc(SC3CCOC3=O)n2c2ccccc12
InChIInChI=1S/C15H13N3O2S/c1-9-8-13-16-17-15(21-12-6-7-20-14(12)19)18(13)11-5-3-2-4-10(9)11/h2-5,8,12H,6-7H2,1H3
InChIKeyRCNKGMDBJGCTNU-UHFFFAOYSA-N
XLogP2.60
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]oxolan-2-one with MolForge

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Related Compounds

1-[(5-Methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetone
CID 829542
1-[(5-Tert-butyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]propan-2-one
CID 3227439
Ethyl 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate
CID 6401440
4-Methyl-1-{[2-(4-morpholinyl)-2-oxoethyl]thio}[1,2,4]triazolo[4,3-a]quinoline
CID 752204
2-(4-Morpholinyl)-2-oxoethyl [1,2,4]triazolo[4,3-a]quinolin-1-yl sulfide
CID 852226
1-Isopropylsulfanyl-5-methyl-[1,2,4]triazolo[4,3-a]quinoline
CID 864572
(5-Methyl-[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)-acetic acid methyl ester
CID 864706
(5-Methyl-[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)-acetic acid isopropyl ester
CID 864707
2-{[1,2,4]Triazolo[4,3-a]quinolin-1-ylsulfanyl}acetonitrile
CID 1650639
2-[(5-Methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanenitrile
CID 2998022
2-((5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 4114707
3-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]dihydrofuran-2(3H)-one
CID 6400964

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]oxolan-2-one?
The IUPAC name of 3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]oxolan-2-one (CID 2999179) is 3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]oxolan-2-one.
What is the SMILES notation for 3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]oxolan-2-one?
The canonical SMILES for 3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]oxolan-2-one is Cc1cc2nnc(SC3CCOC3=O)n2c2ccccc12.
What is the InChIKey of 3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]oxolan-2-one?
The InChIKey is RCNKGMDBJGCTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9-8-13-16-17-15(21-12-6-7-20-14(12)19)18(13)11-5-3-2-4-10(9)11/h2-5,8,12H,6-7H2,1H3.
What are the key properties of 3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]oxolan-2-one?
3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]oxolan-2-one has a molecular weight of 299.36 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]oxolan-2-one is sourced from PubChem (CID 2999179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).