3-(5-methylsulfanyl-4-naphthalen-1-yl-1,2,4-triazol-3-yl)propan-1-ol

C16H17N3OS — CID 155461385

IUPAC3-(5-methylsulfanyl-4-naphthalen-1-yl-1,2,4-triazol-3-yl)propan-1-ol
SMILESCSc1nnc(CCCO)n1-c1cccc2ccccc12
InChIInChI=1S/C16H17N3OS/c1-21-16-18-17-15(10-5-11-20)19(16)14-9-4-7-12-6-2-3-8-13(12)14/h2-4,6-9,20H,5,10-11H2,1H3
InChIKeyNHZTZJMJIDRFAV-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.07
Rot. Bonds5

About 3-(5-methylsulfanyl-4-naphthalen-1-yl-1,2,4-triazol-3-yl)propan-1-ol

3-(5-methylsulfanyl-4-naphthalen-1-yl-1,2,4-triazol-3-yl)propan-1-ol (PubChem CID 155461385) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-(5-methylsulfanyl-4-naphthalen-1-yl-1,2,4-triazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-methylsulfanyl-4-naphthalen-1-yl-1,2,4-triazol-3-yl)propan-1-ol
PubChem CID155461385
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name3-(5-methylsulfanyl-4-naphthalen-1-yl-1,2,4-triazol-3-yl)propan-1-ol
SMILESCSc1nnc(CCCO)n1-c1cccc2ccccc12
InChIInChI=1S/C16H17N3OS/c1-21-16-18-17-15(10-5-11-20)19(16)14-9-4-7-12-6-2-3-8-13(12)14/h2-4,6-9,20H,5,10-11H2,1H3
InChIKeyNHZTZJMJIDRFAV-UHFFFAOYSA-N
XLogP3.07
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-Methylsulfanyl-4-(3,4,5-trimethylphenyl)-1,2,4-triazol-3-yl]propan-1-ol
CID 146037590
3-[5-Methylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-1-ol
CID 155461366
3-[4-(3-Methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propan-1-ol
CID 155461374
3-[5-Methylsulfanyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-1-ol
CID 155461363
2-[(5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-YL)sulfanyl]ethan-1-OL
CID 20896463
2-[[4-(4-Ethylnaphthalen-1-yl)-5-(fluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 57811382
2-[[4-Naphthalen-1-yl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 57811439
2-[[4-Naphthalen-1-yl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanol
CID 90796650
2-[[4-(4,7-Dimethylnaphthalen-1-yl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methylpropane-1,1-diol
CID 131977031
2-Methyl-2-[[4-(4-methylnaphthalen-1-yl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propane-1,1-diol
CID 131977032
4-(4-Ethylnaphthalen-1-yl)-3-(fluoromethyl)-5-prop-1-en-2-ylsulfanyl-1,2,4-triazole
CID 143812694
Methanol;2-[[4-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetaldehyde
CID 143955247

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylsulfanyl-4-naphthalen-1-yl-1,2,4-triazol-3-yl)propan-1-ol?
The IUPAC name of 3-(5-methylsulfanyl-4-naphthalen-1-yl-1,2,4-triazol-3-yl)propan-1-ol (CID 155461385) is 3-(5-methylsulfanyl-4-naphthalen-1-yl-1,2,4-triazol-3-yl)propan-1-ol.
What is the SMILES notation for 3-(5-methylsulfanyl-4-naphthalen-1-yl-1,2,4-triazol-3-yl)propan-1-ol?
The canonical SMILES for 3-(5-methylsulfanyl-4-naphthalen-1-yl-1,2,4-triazol-3-yl)propan-1-ol is CSc1nnc(CCCO)n1-c1cccc2ccccc12.
What is the InChIKey of 3-(5-methylsulfanyl-4-naphthalen-1-yl-1,2,4-triazol-3-yl)propan-1-ol?
The InChIKey is NHZTZJMJIDRFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-21-16-18-17-15(10-5-11-20)19(16)14-9-4-7-12-6-2-3-8-13(12)14/h2-4,6-9,20H,5,10-11H2,1H3.
What are the key properties of 3-(5-methylsulfanyl-4-naphthalen-1-yl-1,2,4-triazol-3-yl)propan-1-ol?
3-(5-methylsulfanyl-4-naphthalen-1-yl-1,2,4-triazol-3-yl)propan-1-ol has a molecular weight of 299.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylsulfanyl-4-naphthalen-1-yl-1,2,4-triazol-3-yl)propan-1-ol is sourced from PubChem (CID 155461385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).