3-ethylsulfanyl-5-methyl-4-phenyl-1,2,4-triazole

C11H13N3S — CID 7205487

IUPAC3-ethylsulfanyl-5-methyl-4-phenyl-1,2,4-triazole
SMILESCCSc1nnc(C)n1-c1ccccc1
InChIInChI=1S/C11H13N3S/c1-3-15-11-13-12-9(2)14(11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyVSSXZYYEAMDZNA-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.69
Rot. Bonds3

About 3-ethylsulfanyl-5-methyl-4-phenyl-1,2,4-triazole

3-ethylsulfanyl-5-methyl-4-phenyl-1,2,4-triazole (PubChem CID 7205487) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 3-ethylsulfanyl-5-methyl-4-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-ethylsulfanyl-5-methyl-4-phenyl-1,2,4-triazole
PubChem CID7205487
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name3-ethylsulfanyl-5-methyl-4-phenyl-1,2,4-triazole
SMILESCCSc1nnc(C)n1-c1ccccc1
InChIInChI=1S/C11H13N3S/c1-3-15-11-13-12-9(2)14(11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyVSSXZYYEAMDZNA-UHFFFAOYSA-N
XLogP2.69
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethylsulfanyl-4,5-diphenyl-1,2,4-triazole
CID 893283
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 82044169
(1S)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanol
CID 40953519
3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propane-1,2-diol
CID 134066377
3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
CID 3228160
3,3-dimethyl-1-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one
CID 134066046
3-[(2-fluorophenyl)methylsulfanyl]-5-methyl-4-phenyl-1,2,4-triazole
CID 6957225
3-methyl-5-(oxiran-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazole
CID 134067110
2-(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)acetonitrile
CID 15349987
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
CID 788503
1-(4-chlorophenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 853334
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methylthiophen-2-yl)ethanone
CID 18195245

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-5-methyl-4-phenyl-1,2,4-triazole?
The IUPAC name of 3-ethylsulfanyl-5-methyl-4-phenyl-1,2,4-triazole (CID 7205487) is 3-ethylsulfanyl-5-methyl-4-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-ethylsulfanyl-5-methyl-4-phenyl-1,2,4-triazole?
The canonical SMILES for 3-ethylsulfanyl-5-methyl-4-phenyl-1,2,4-triazole is CCSc1nnc(C)n1-c1ccccc1.
What is the InChIKey of 3-ethylsulfanyl-5-methyl-4-phenyl-1,2,4-triazole?
The InChIKey is VSSXZYYEAMDZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-3-15-11-13-12-9(2)14(11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3.
What are the key properties of 3-ethylsulfanyl-5-methyl-4-phenyl-1,2,4-triazole?
3-ethylsulfanyl-5-methyl-4-phenyl-1,2,4-triazole has a molecular weight of 219.31 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-5-methyl-4-phenyl-1,2,4-triazole is sourced from PubChem (CID 7205487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).