4-methyl-1-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclohexan-1-ol

C16H21N3OS — CID 111476221

IUPAC4-methyl-1-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CSc2nncn2-c2ccccc2)CC1
InChIInChI=1S/C16H21N3OS/c1-13-7-9-16(20,10-8-13)11-21-15-18-17-12-19(15)14-5-3-2-4-6-14/h2-6,12-13,20H,7-11H2,1H3
InChIKeyJTEDFIHFSGNFFL-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.30
Rot. Bonds4

About 4-methyl-1-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclohexan-1-ol

4-methyl-1-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclohexan-1-ol (PubChem CID 111476221) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-methyl-1-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclohexan-1-ol
PubChem CID111476221
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name4-methyl-1-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CSc2nncn2-c2ccccc2)CC1
InChIInChI=1S/C16H21N3OS/c1-13-7-9-16(20,10-8-13)11-21-15-18-17-12-19(15)14-5-3-2-4-6-14/h2-6,12-13,20H,7-11H2,1H3
InChIKeyJTEDFIHFSGNFFL-UHFFFAOYSA-N
XLogP3.30
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-1-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methylcyclohexan-1-ol
CID 111476274
trimethyl-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]silane
CID 56528992
1-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methylcyclohexan-1-ol
CID 111476242
N-[(1S,2R)-2-methylcyclohexyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2662774
N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8787455
1-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopentan-1-ol
CID 65213125
methyl 1-[[2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-methylcyclohexane-1-carboxylate
CID 55843613
1-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide
CID 8787459
2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-[[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]ethyl]acetamide
CID 16529726
2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperidin-1-yl)ethanone
CID 39581526
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 98306402
1-(4-phenylpiperazin-1-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 4819769

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclohexan-1-ol (CID 111476221) is 4-methyl-1-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclohexan-1-ol is CC1CCC(O)(CSc2nncn2-c2ccccc2)CC1.
What is the InChIKey of 4-methyl-1-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclohexan-1-ol?
The InChIKey is JTEDFIHFSGNFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-13-7-9-16(20,10-8-13)11-21-15-18-17-12-19(15)14-5-3-2-4-6-14/h2-6,12-13,20H,7-11H2,1H3.
What are the key properties of 4-methyl-1-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclohexan-1-ol?
4-methyl-1-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclohexan-1-ol has a molecular weight of 303.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclohexan-1-ol is sourced from PubChem (CID 111476221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).