4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine;hydrochloride

C9H17ClN4S — CID 6603483

IUPAC4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine;hydrochloride
SMILESCSc1nnc(C2CCNCC2)n1C.Cl
InChIInChI=1S/C9H16N4S.ClH/c1-13-8(11-12-9(13)14-2)7-3-5-10-6-4-7;/h7,10H,3-6H2,1-2H3;1H
InChIKeyYYJBZWKNBJVIEK-UHFFFAOYSA-N
MW248.78 g/mol
LogP1.43
Rot. Bonds2

About 4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine;hydrochloride

4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine;hydrochloride (PubChem CID 6603483) has the molecular formula C9H17ClN4S and a molecular weight of 248.78 g/mol. Its IUPAC name is 4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine;hydrochloride
PubChem CID6603483
Molecular FormulaC9H17ClN4S
Molecular Weight248.78 g/mol
Exact Mass248.09
IUPAC Name4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine;hydrochloride
SMILESCSc1nnc(C2CCNCC2)n1C.Cl
InChIInChI=1S/C9H16N4S.ClH/c1-13-8(11-12-9(13)14-2)7-3-5-10-6-4-7;/h7,10H,3-6H2,1-2H3;1H
InChIKeyYYJBZWKNBJVIEK-UHFFFAOYSA-N
XLogP1.43
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.78
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine;hydrochloride?
The IUPAC name of 4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine;hydrochloride (CID 6603483) is 4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine;hydrochloride.
What is the SMILES notation for 4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine;hydrochloride?
The canonical SMILES for 4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine;hydrochloride is CSc1nnc(C2CCNCC2)n1C.Cl.
What is the InChIKey of 4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine;hydrochloride?
The InChIKey is YYJBZWKNBJVIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S.ClH/c1-13-8(11-12-9(13)14-2)7-3-5-10-6-4-7;/h7,10H,3-6H2,1-2H3;1H.
What are the key properties of 4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine;hydrochloride?
4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine;hydrochloride has a molecular weight of 248.78 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine;hydrochloride is sourced from PubChem (CID 6603483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).