4-[(4-cyclohexylphenyl)methyl]-3-methylsulfinyl-1,2,4-triazole

C16H21N3OS — CID 84588415

IUPAC4-[(4-cyclohexylphenyl)methyl]-3-methylsulfinyl-1,2,4-triazole
SMILESCS(=O)c1nncn1Cc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H21N3OS/c1-21(20)16-18-17-12-19(16)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h7-10,12,14H,2-6,11H2,1H3
InChIKeyFFWYBOUUPVDBRK-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.11
Rot. Bonds4

About 4-[(4-cyclohexylphenyl)methyl]-3-methylsulfinyl-1,2,4-triazole

4-[(4-cyclohexylphenyl)methyl]-3-methylsulfinyl-1,2,4-triazole (PubChem CID 84588415) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-[(4-cyclohexylphenyl)methyl]-3-methylsulfinyl-1,2,4-triazole.

Molecular Properties

Compound Name4-[(4-cyclohexylphenyl)methyl]-3-methylsulfinyl-1,2,4-triazole
PubChem CID84588415
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name4-[(4-cyclohexylphenyl)methyl]-3-methylsulfinyl-1,2,4-triazole
SMILESCS(=O)c1nncn1Cc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H21N3OS/c1-21(20)16-18-17-12-19(16)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h7-10,12,14H,2-6,11H2,1H3
InChIKeyFFWYBOUUPVDBRK-UHFFFAOYSA-N
XLogP3.11
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-cyclohexylphenyl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one
CID 166367431
1-[(4-cyclohexylphenyl)methyl]-4-ethylpiperazine
CID 166366973
1-[(4-cyclobutylphenyl)methyl]-3-methylimidazol-2-one
CID 166266306
4-[(4-cyclohexylphenyl)methyl]-3-methylpiperazin-2-one
CID 166367359
3-[(4-cyclohexylphenyl)methyl]-1-ethylimidazolidine-2,4-dione
CID 166228514
1-(2-chloropropyl)-4-cyclohexylbenzene
CID 82255538
(4-cyclohexylphenyl)methanamine
CID 22246867
N-(4-cyclohexylphenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
CID 73213157
1-cyclohexyl-4-(methylsulfanylmethyl)benzene
CID 59166778
2-(4-cycloheptylphenyl)acetic acid
CID 21484425
N-(chloromethyl)-1-(4-cyclohexylphenyl)-N-methylmethanamine
CID 115263158
1-(chloromethyl)-4-cyclobutylbenzene
CID 57236902

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclohexylphenyl)methyl]-3-methylsulfinyl-1,2,4-triazole?
The IUPAC name of 4-[(4-cyclohexylphenyl)methyl]-3-methylsulfinyl-1,2,4-triazole (CID 84588415) is 4-[(4-cyclohexylphenyl)methyl]-3-methylsulfinyl-1,2,4-triazole.
What is the SMILES notation for 4-[(4-cyclohexylphenyl)methyl]-3-methylsulfinyl-1,2,4-triazole?
The canonical SMILES for 4-[(4-cyclohexylphenyl)methyl]-3-methylsulfinyl-1,2,4-triazole is CS(=O)c1nncn1Cc1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-[(4-cyclohexylphenyl)methyl]-3-methylsulfinyl-1,2,4-triazole?
The InChIKey is FFWYBOUUPVDBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-21(20)16-18-17-12-19(16)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h7-10,12,14H,2-6,11H2,1H3.
What are the key properties of 4-[(4-cyclohexylphenyl)methyl]-3-methylsulfinyl-1,2,4-triazole?
4-[(4-cyclohexylphenyl)methyl]-3-methylsulfinyl-1,2,4-triazole has a molecular weight of 303.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclohexylphenyl)methyl]-3-methylsulfinyl-1,2,4-triazole is sourced from PubChem (CID 84588415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).