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

C9H16N4S — CID 650653

IUPAC4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine
SMILESCSc1nnc(C2CCNCC2)n1C
InChIInChI=1S/C9H16N4S/c1-13-8(11-12-9(13)14-2)7-3-5-10-6-4-7/h7,10H,3-6H2,1-2H3
InChIKeyOOFRASPADHOBHV-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.00
Rot. Bonds2

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

4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 650653) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine
PubChem CID650653
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine
SMILESCSc1nnc(C2CCNCC2)n1C
InChIInChI=1S/C9H16N4S/c1-13-8(11-12-9(13)14-2)7-3-5-10-6-4-7/h7,10H,3-6H2,1-2H3
InChIKeyOOFRASPADHOBHV-UHFFFAOYSA-N
XLogP1.00
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.00
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?
The IUPAC name of 4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine (CID 650653) is 4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine is CSc1nnc(C2CCNCC2)n1C.
What is the InChIKey of 4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is OOFRASPADHOBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-13-8(11-12-9(13)14-2)7-3-5-10-6-4-7/h7,10H,3-6H2,1-2H3.
What are the key properties of 4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine?
4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 212.32 g/mol, XLogP of 1.00, 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 is sourced from PubChem (CID 650653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).