5-methyl-3-methylsulfanyl-6-piperidin-3-yl-1,2,4-triazine

C10H16N4S — CID 83839530

IUPAC5-methyl-3-methylsulfanyl-6-piperidin-3-yl-1,2,4-triazine
SMILESCSc1nnc(C2CCCNC2)c(C)n1
InChIInChI=1S/C10H16N4S/c1-7-9(8-4-3-5-11-6-8)13-14-10(12-7)15-2/h8,11H,3-6H2,1-2H3
InChIKeyCPMIPXZRDAXFSV-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.37
Rot. Bonds2

About 5-methyl-3-methylsulfanyl-6-piperidin-3-yl-1,2,4-triazine

5-methyl-3-methylsulfanyl-6-piperidin-3-yl-1,2,4-triazine (PubChem CID 83839530) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 5-methyl-3-methylsulfanyl-6-piperidin-3-yl-1,2,4-triazine.

Molecular Properties

Compound Name5-methyl-3-methylsulfanyl-6-piperidin-3-yl-1,2,4-triazine
PubChem CID83839530
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name5-methyl-3-methylsulfanyl-6-piperidin-3-yl-1,2,4-triazine
SMILESCSc1nnc(C2CCCNC2)c(C)n1
InChIInChI=1S/C10H16N4S/c1-7-9(8-4-3-5-11-6-8)13-14-10(12-7)15-2/h8,11H,3-6H2,1-2H3
InChIKeyCPMIPXZRDAXFSV-UHFFFAOYSA-N
XLogP1.37
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-methyl-4-piperidin-3-yl-1,3-thiazole
CID 115048783
3-(5-ethyl-2H-triazol-4-yl)piperidine
CID 84768245
2,6-dimethyl-3-piperidin-3-ylpyridine
CID 82603619
3-(4,5-dimethyl-1H-imidazol-2-yl)piperidine
CID 43650978
2-cyclobutyl-4-methyl-5-piperidin-3-yl-1,3-thiazole
CID 116885135
4,6-dimethyl-2-piperidin-3-ylpyrimidine
CID 63317441
2-methoxy-3-methyl-5-piperidin-3-ylpyrazine
CID 83833851
2,4-dimethyl-5-piperidin-3-ylpyridine
CID 83829631
(3S)-3-(1,4-dimethylimidazol-2-yl)piperidine
CID 96743464
4,6-dimethyl-2-piperidin-3-ylpyrimidine;dihydrochloride
CID 71299007
2-methyl-5-piperidin-3-ylpyrazine
CID 82599606
3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine
CID 3231623

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-methylsulfanyl-6-piperidin-3-yl-1,2,4-triazine?
The IUPAC name of 5-methyl-3-methylsulfanyl-6-piperidin-3-yl-1,2,4-triazine (CID 83839530) is 5-methyl-3-methylsulfanyl-6-piperidin-3-yl-1,2,4-triazine.
What is the SMILES notation for 5-methyl-3-methylsulfanyl-6-piperidin-3-yl-1,2,4-triazine?
The canonical SMILES for 5-methyl-3-methylsulfanyl-6-piperidin-3-yl-1,2,4-triazine is CSc1nnc(C2CCCNC2)c(C)n1.
What is the InChIKey of 5-methyl-3-methylsulfanyl-6-piperidin-3-yl-1,2,4-triazine?
The InChIKey is CPMIPXZRDAXFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-7-9(8-4-3-5-11-6-8)13-14-10(12-7)15-2/h8,11H,3-6H2,1-2H3.
What are the key properties of 5-methyl-3-methylsulfanyl-6-piperidin-3-yl-1,2,4-triazine?
5-methyl-3-methylsulfanyl-6-piperidin-3-yl-1,2,4-triazine has a molecular weight of 224.33 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-methylsulfanyl-6-piperidin-3-yl-1,2,4-triazine is sourced from PubChem (CID 83839530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).