2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine

C11H14N4S — CID 82044169

IUPAC2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
SMILESCc1nnc(SCCN)n1-c1ccccc1
InChIInChI=1S/C11H14N4S/c1-9-13-14-11(16-8-7-12)15(9)10-5-3-2-4-6-10/h2-6H,7-8,12H2,1H3
InChIKeySIJAAHLYMVMQDC-UHFFFAOYSA-N
MW234.33 g/mol
LogP1.63
Rot. Bonds4

About 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine

2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine (PubChem CID 82044169) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine.

Molecular Properties

Compound Name2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
PubChem CID82044169
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
SMILESCc1nnc(SCCN)n1-c1ccccc1
InChIInChI=1S/C11H14N4S/c1-9-13-14-11(16-8-7-12)15(9)10-5-3-2-4-6-10/h2-6H,7-8,12H2,1H3
InChIKeySIJAAHLYMVMQDC-UHFFFAOYSA-N
XLogP1.63
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethylsulfanyl-5-methyl-4-phenyl-1,2,4-triazole
CID 7205487
3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
CID 3228160
4-(4-chlorophenyl)-3-methyl-5-(2-phenylethylsulfanyl)-1,2,4-triazole
CID 3314275
3-[(2-fluorophenyl)methylsulfanyl]-5-methyl-4-phenyl-1,2,4-triazole
CID 6957225
(1S)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanol
CID 40953519
3,3-dimethyl-1-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one
CID 134066046
3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propane-1,2-diol
CID 134066377
3-methyl-5-(oxiran-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazole
CID 134067110
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
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
CID 788503
4-(3,4-dimethylphenyl)-3-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole
CID 126128169

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine?
The IUPAC name of 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine (CID 82044169) is 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine.
What is the SMILES notation for 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine?
The canonical SMILES for 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine is Cc1nnc(SCCN)n1-c1ccccc1.
What is the InChIKey of 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine?
The InChIKey is SIJAAHLYMVMQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-9-13-14-11(16-8-7-12)15(9)10-5-3-2-4-6-10/h2-6H,7-8,12H2,1H3.
What are the key properties of 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine?
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine has a molecular weight of 234.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine is sourced from PubChem (CID 82044169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).