4-[5-(cyclohexylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyridine

C15H20N4S — CID 656146

IUPAC4-[5-(cyclohexylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyridine
SMILESCn1c(SCC2CCCCC2)nnc1-c1ccncc1
InChIInChI=1S/C15H20N4S/c1-19-14(13-7-9-16-10-8-13)17-18-15(19)20-11-12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3
InChIKeyKUKXSQFULPYCPY-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.55
Rot. Bonds4

About 4-[5-(cyclohexylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyridine

4-[5-(cyclohexylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyridine (PubChem CID 656146) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-[5-(cyclohexylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[5-(cyclohexylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyridine
PubChem CID656146
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name4-[5-(cyclohexylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyridine
SMILESCn1c(SCC2CCCCC2)nnc1-c1ccncc1
InChIInChI=1S/C15H20N4S/c1-19-14(13-7-9-16-10-8-13)17-18-15(19)20-11-12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3
InChIKeyKUKXSQFULPYCPY-UHFFFAOYSA-N
XLogP3.55
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(cyclohexylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]pyridine
CID 134040135
4-[5-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 7895131
4-[4-methyl-5-[[4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
CID 1150565
3-(2-bromophenyl)-5-(cyclohexylmethylsulfanyl)-4-methyl-1,2,4-triazole
CID 3167030
1-[(2S)-2-methylpiperidin-1-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 2699902
2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 7174259
3-(cyclohexylmethylsulfanyl)-4-ethyl-5-phenyl-1,2,4-triazole
CID 86058119
1-[(3S)-3-methylpiperidin-1-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 1155017
(2S)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one
CID 2427854
3-(cycloheptylmethylsulfanyl)-4-methyl-1,2,4-triazole
CID 86790923
4-(4-cyclohexyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine
CID 862853
1-(2,4-dimethylphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 7895141

Frequently Asked Questions

What is the IUPAC name of 4-[5-(cyclohexylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 4-[5-(cyclohexylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyridine (CID 656146) is 4-[5-(cyclohexylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 4-[5-(cyclohexylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 4-[5-(cyclohexylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyridine is Cn1c(SCC2CCCCC2)nnc1-c1ccncc1.
What is the InChIKey of 4-[5-(cyclohexylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyridine?
The InChIKey is KUKXSQFULPYCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-19-14(13-7-9-16-10-8-13)17-18-15(19)20-11-12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3.
What are the key properties of 4-[5-(cyclohexylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyridine?
4-[5-(cyclohexylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyridine has a molecular weight of 288.42 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(cyclohexylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 656146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).