1-(2-methylsulfanylcyclohexyl)-4-phenyltriazole

C15H19N3S — CID 102494805

IUPAC1-(2-methylsulfanylcyclohexyl)-4-phenyltriazole
SMILESCSC1CCCCC1n1cc(-c2ccccc2)nn1
InChIInChI=1S/C15H19N3S/c1-19-15-10-6-5-9-14(15)18-11-13(16-17-18)12-7-3-2-4-8-12/h2-4,7-8,11,14-15H,5-6,9-10H2,1H3
InChIKeyZKZLGFIISKAULV-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.79
Rot. Bonds3

About 1-(2-methylsulfanylcyclohexyl)-4-phenyltriazole

1-(2-methylsulfanylcyclohexyl)-4-phenyltriazole (PubChem CID 102494805) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-(2-methylsulfanylcyclohexyl)-4-phenyltriazole.

Molecular Properties

Compound Name1-(2-methylsulfanylcyclohexyl)-4-phenyltriazole
PubChem CID102494805
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name1-(2-methylsulfanylcyclohexyl)-4-phenyltriazole
SMILESCSC1CCCCC1n1cc(-c2ccccc2)nn1
InChIInChI=1S/C15H19N3S/c1-19-15-10-6-5-9-14(15)18-11-13(16-17-18)12-7-3-2-4-8-12/h2-4,7-8,11,14-15H,5-6,9-10H2,1H3
InChIKeyZKZLGFIISKAULV-UHFFFAOYSA-N
XLogP3.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-[4-(4-methylphenyl)triazol-1-yl]cyclohexan-1-ol
CID 24970946
1-(3-methylcyclopentyl)-4-phenyltriazole
CID 126836997
(3aR,6S,6aS)-1-methoxy-6-(4-phenyltriazol-1-yl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one
CID 139125535
(4aS)-4a-methyl-5-(4-phenyltriazol-1-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 123333406
1-methyl-4-phenyltriazole
CID 11309663
(1S,2R,3R,4S)-2-(2-hydroxyethyl)-3-(hydroxymethyl)-4-(4-phenyltriazol-1-yl)cyclopentan-1-ol
CID 71681426
(3R)-N,N-dimethyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-sulfonamide
CID 99987115
2-[4-(4-phenyltriazol-1-yl)piperidin-1-yl]pyridine
CID 174616715
(1S,2R)-2-[4-(4-methoxyphenyl)triazol-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 134957340
2-(4-phenyltriazol-1-yl)oxane-3,4,5-triol
CID 59360691
N-[6-(4-phenyltriazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]acetamide
CID 73134960
5-[1-[(1R,2R)-2-hydroxycyclohexyl]triazol-4-yl]-2-methyl-N-phenylbenzamide
CID 166400344

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylcyclohexyl)-4-phenyltriazole?
The IUPAC name of 1-(2-methylsulfanylcyclohexyl)-4-phenyltriazole (CID 102494805) is 1-(2-methylsulfanylcyclohexyl)-4-phenyltriazole.
What is the SMILES notation for 1-(2-methylsulfanylcyclohexyl)-4-phenyltriazole?
The canonical SMILES for 1-(2-methylsulfanylcyclohexyl)-4-phenyltriazole is CSC1CCCCC1n1cc(-c2ccccc2)nn1.
What is the InChIKey of 1-(2-methylsulfanylcyclohexyl)-4-phenyltriazole?
The InChIKey is ZKZLGFIISKAULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-19-15-10-6-5-9-14(15)18-11-13(16-17-18)12-7-3-2-4-8-12/h2-4,7-8,11,14-15H,5-6,9-10H2,1H3.
What are the key properties of 1-(2-methylsulfanylcyclohexyl)-4-phenyltriazole?
1-(2-methylsulfanylcyclohexyl)-4-phenyltriazole has a molecular weight of 273.40 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylcyclohexyl)-4-phenyltriazole is sourced from PubChem (CID 102494805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).