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

C5H9N3S — CID 5151328

IUPAC3-ethylsulfanyl-4-methyl-1,2,4-triazole
SMILESCCSc1nncn1C
InChIInChI=1S/C5H9N3S/c1-3-9-5-7-6-4-8(5)2/h4H,3H2,1-2H3
InChIKeyLGXUCWKNYOIQFD-UHFFFAOYSA-N
MW143.21 g/mol
LogP0.93
Rot. Bonds2

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

3-ethylsulfanyl-4-methyl-1,2,4-triazole (PubChem CID 5151328) has the molecular formula C5H9N3S and a molecular weight of 143.21 g/mol. Its IUPAC name is 3-ethylsulfanyl-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-ethylsulfanyl-4-methyl-1,2,4-triazole
PubChem CID5151328
Molecular FormulaC5H9N3S
Molecular Weight143.21 g/mol
Exact Mass143.05
IUPAC Name3-ethylsulfanyl-4-methyl-1,2,4-triazole
SMILESCCSc1nncn1C
InChIInChI=1S/C5H9N3S/c1-3-9-5-7-6-4-8(5)2/h4H,3H2,1-2H3
InChIKeyLGXUCWKNYOIQFD-UHFFFAOYSA-N
XLogP0.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine
CID 43530547
3-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-amine;hydrochloride
CID 86262548
3-(3-fluoropropylsulfanyl)-4-methyl-1,2,4-triazole
CID 131206964
3-[2-(4-fluorophenyl)sulfanylethylsulfanyl]-4-methyl-1,2,4-triazole
CID 112781675
3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine;hydrochloride
CID 86262381
ethane;4-methyl-3-methylsulfanyl-1,2,4-triazole
CID 91546517
2-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-ol
CID 79175697
3,3-dimethyl-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one
CID 2385589
methyl (2S)-2-amino-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoate
CID 94055657
4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylbutan-1-amine
CID 62578296
6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]hexan-3-amine
CID 106808273
3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-oxopropanethial
CID 54472324

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-4-methyl-1,2,4-triazole?
The IUPAC name of 3-ethylsulfanyl-4-methyl-1,2,4-triazole (CID 5151328) is 3-ethylsulfanyl-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-ethylsulfanyl-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-ethylsulfanyl-4-methyl-1,2,4-triazole is CCSc1nncn1C.
What is the InChIKey of 3-ethylsulfanyl-4-methyl-1,2,4-triazole?
The InChIKey is LGXUCWKNYOIQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c1-3-9-5-7-6-4-8(5)2/h4H,3H2,1-2H3.
What are the key properties of 3-ethylsulfanyl-4-methyl-1,2,4-triazole?
3-ethylsulfanyl-4-methyl-1,2,4-triazole has a molecular weight of 143.21 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-4-methyl-1,2,4-triazole is sourced from PubChem (CID 5151328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).