4-(4-cyclohexyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine

C14H18N4S — CID 862853

IUPAC4-(4-cyclohexyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine
SMILESCSc1nnc(-c2ccncc2)n1C1CCCCC1
InChIInChI=1S/C14H18N4S/c1-19-14-17-16-13(11-7-9-15-10-8-11)18(14)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3
InChIKeyBENHYSAZGGUOKY-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.57
Rot. Bonds3

About 4-(4-cyclohexyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine

4-(4-cyclohexyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine (PubChem CID 862853) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-(4-cyclohexyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name4-(4-cyclohexyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine
PubChem CID862853
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name4-(4-cyclohexyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine
SMILESCSc1nnc(-c2ccncc2)n1C1CCCCC1
InChIInChI=1S/C14H18N4S/c1-19-14-17-16-13(11-7-9-15-10-8-11)18(14)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3
InChIKeyBENHYSAZGGUOKY-UHFFFAOYSA-N
XLogP3.57
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclohexyl-3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole
CID 78762729
4-[5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-cyclohexyl-1,2,4-triazol-3-yl]pyridine
CID 134065537
2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone
CID 39921654
3-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one
CID 43044469
2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 3786267
4-[4-cyclopropyl-5-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine
CID 75433528
(2S)-N-carbamoyl-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8722724
4-[5-(cyclohexylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 656146
2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 1169658
4-[4-cyclopropyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
CID 24670996
7-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
CID 133426794
2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 1169663

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 4-(4-cyclohexyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine (CID 862853) is 4-(4-cyclohexyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 4-(4-cyclohexyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 4-(4-cyclohexyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine is CSc1nnc(-c2ccncc2)n1C1CCCCC1.
What is the InChIKey of 4-(4-cyclohexyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine?
The InChIKey is BENHYSAZGGUOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-19-14-17-16-13(11-7-9-15-10-8-11)18(14)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3.
What are the key properties of 4-(4-cyclohexyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine?
4-(4-cyclohexyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine has a molecular weight of 274.39 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 862853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).