3-(2-phenylethylsulfanyl)-1,2,4-triazol-4-amine

C10H12N4S — CID 7730055

IUPAC3-(2-phenylethylsulfanyl)-1,2,4-triazol-4-amine
SMILESNn1cnnc1SCCc1ccccc1
InChIInChI=1S/C10H12N4S/c11-14-8-12-13-10(14)15-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7,11H2
InChIKeyVSTZXEHBLIXFJI-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.33
Rot. Bonds4

About 3-(2-phenylethylsulfanyl)-1,2,4-triazol-4-amine

3-(2-phenylethylsulfanyl)-1,2,4-triazol-4-amine (PubChem CID 7730055) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 3-(2-phenylethylsulfanyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(2-phenylethylsulfanyl)-1,2,4-triazol-4-amine
PubChem CID7730055
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name3-(2-phenylethylsulfanyl)-1,2,4-triazol-4-amine
SMILESNn1cnnc1SCCc1ccccc1
InChIInChI=1S/C10H12N4S/c11-14-8-12-13-10(14)15-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7,11H2
InChIKeyVSTZXEHBLIXFJI-UHFFFAOYSA-N
XLogP1.33
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[6-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1,2,4-triazol-4-amine
CID 23660778
3-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-4-amine
CID 3520280
4-(2-phenylethyl)-3-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]disulfanyl]-1,2,4-triazole
CID 20726524
3-(thiophen-2-ylmethylsulfanyl)-1,2,4-triazol-4-amine
CID 130979384
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetic acid
CID 60708323
3-(2-aminoethylsulfanyl)-5-(2-phenylethyl)-1,2,4-triazol-4-amine
CID 28916016
3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1,2,4-triazol-4-amine
CID 37145338
3-[2-(4-methoxyphenyl)ethylsulfanyl]-4-methyl-1,2,4-triazole
CID 78763771
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
CID 859356
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-2-phenylpropyl]acetamide
CID 7977632
3-(4-aminobut-2-enylsulfanyl)-1,2,4-triazol-4-amine
CID 77110761
2-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]benzohydrazide
CID 63581836

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethylsulfanyl)-1,2,4-triazol-4-amine?
The IUPAC name of 3-(2-phenylethylsulfanyl)-1,2,4-triazol-4-amine (CID 7730055) is 3-(2-phenylethylsulfanyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(2-phenylethylsulfanyl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(2-phenylethylsulfanyl)-1,2,4-triazol-4-amine is Nn1cnnc1SCCc1ccccc1.
What is the InChIKey of 3-(2-phenylethylsulfanyl)-1,2,4-triazol-4-amine?
The InChIKey is VSTZXEHBLIXFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c11-14-8-12-13-10(14)15-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7,11H2.
What are the key properties of 3-(2-phenylethylsulfanyl)-1,2,4-triazol-4-amine?
3-(2-phenylethylsulfanyl)-1,2,4-triazol-4-amine has a molecular weight of 220.30 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethylsulfanyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 7730055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).