5-methyl-1-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline

C14H15N3S — CID 864572

IUPAC5-methyl-1-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline
SMILESCc1cc2nnc(SC(C)C)n2c2ccccc12
InChIInChI=1S/C14H15N3S/c1-9(2)18-14-16-15-13-8-10(3)11-6-4-5-7-12(11)17(13)14/h4-9H,1-3H3
InChIKeyQVLJKADTAWKKPF-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.69
Rot. Bonds2

About 5-methyl-1-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline

5-methyl-1-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline (PubChem CID 864572) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 5-methyl-1-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline.

Molecular Properties

Compound Name5-methyl-1-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline
PubChem CID864572
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name5-methyl-1-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline
SMILESCc1cc2nnc(SC(C)C)n2c2ccccc12
InChIInChI=1S/C14H15N3S/c1-9(2)18-14-16-15-13-8-10(3)11-6-4-5-7-12(11)17(13)14/h4-9H,1-3H3
InChIKeyQVLJKADTAWKKPF-UHFFFAOYSA-N
XLogP3.69
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-[1,2,4]triazolo[4,3-a]quinoline
CID 266106
5-Methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-ylamine
CID 607943
s-Triazolo[4,3-a]quinoline
CID 67477
5-Propyl[1,2,4]triazolo[1,5-c]quinazolin-2-amine
CID 893376
1-[(5-Methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetone
CID 829542
Tetrazolo[1,5-a]quinoline-4-carbonitrile
CID 2565899
1-[(5-Tert-butyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]propan-2-one
CID 3227439
4-(Isopropylthio)-1-methyl[1,2,4]triazolo[4,3-a]quinoxaline
CID 6460246
3-(Ethylthio)-6-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 7217462
6-(4-Methylphenyl)-3-methylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7531404
2-Methyl-5-(quinolin-2-ylmethylthio)-[1,2,4]triazolo[1,5-c]quinazoline
CID 54586389
2-(9-Bromo-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylthio)acetonitrile
CID 54587804

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline?
The IUPAC name of 5-methyl-1-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline (CID 864572) is 5-methyl-1-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline.
What is the SMILES notation for 5-methyl-1-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline?
The canonical SMILES for 5-methyl-1-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline is Cc1cc2nnc(SC(C)C)n2c2ccccc12.
What is the InChIKey of 5-methyl-1-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline?
The InChIKey is QVLJKADTAWKKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-9(2)18-14-16-15-13-8-10(3)11-6-4-5-7-12(11)17(13)14/h4-9H,1-3H3.
What are the key properties of 5-methyl-1-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline?
5-methyl-1-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline has a molecular weight of 257.36 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline is sourced from PubChem (CID 864572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).