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

C10H18N4S — CID 3231623

IUPAC3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine
SMILESCCn1c(SC)nnc1C1CCCNC1
InChIInChI=1S/C10H18N4S/c1-3-14-9(12-13-10(14)15-2)8-5-4-6-11-7-8/h8,11H,3-7H2,1-2H3
InChIKeyWRQDURBCYPSFLR-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.49
Rot. Bonds3

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

3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 3231623) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine
PubChem CID3231623
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine
SMILESCCn1c(SC)nnc1C1CCCNC1
InChIInChI=1S/C10H18N4S/c1-3-14-9(12-13-10(14)15-2)8-5-4-6-11-7-8/h8,11H,3-7H2,1-2H3
InChIKeyWRQDURBCYPSFLR-UHFFFAOYSA-N
XLogP1.49
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanyl]propan-1-ol
CID 126433718
(3R)-3-[4-methyl-5-(2-pyrazol-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]piperidine
CID 126441913
3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride
CID 50988337
(3R)-3-[5-(5-fluoropentylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]piperidine
CID 126447370
N,N-diethyl-2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;hydrochloride
CID 154906350
(3R)-1-benzyl-3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium
CID 7451088
6-[[4-methyl-5-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanyl]hexan-1-ol
CID 126440803
(3R)-3-[4-methyl-5-(2-methylsulfonylethylsulfanyl)-1,2,4-triazol-3-yl]piperidine
CID 126446949
3-cyclopentyl-4-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazole
CID 17303220
(3S)-3-(2-ethyl-1,2,4-triazol-3-yl)piperidine
CID 94552936
6-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanyl]hexan-1-ol;hydrochloride
CID 154906626
2-methyl-5-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-thiadiazole
CID 121496030

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine (CID 3231623) is 3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine is CCn1c(SC)nnc1C1CCCNC1.
What is the InChIKey of 3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is WRQDURBCYPSFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-3-14-9(12-13-10(14)15-2)8-5-4-6-11-7-8/h8,11H,3-7H2,1-2H3.
What are the key properties of 3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine?
3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 226.35 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 3231623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).