3-ethyl-5-ethylsulfanyl-1,2,4-triazol-4-amine

C6H12N4S — CID 7174100

IUPAC3-ethyl-5-ethylsulfanyl-1,2,4-triazol-4-amine
SMILESCCSc1nnc(CC)n1N
InChIInChI=1S/C6H12N4S/c1-3-5-8-9-6(10(5)7)11-4-2/h3-4,7H2,1-2H3
InChIKeyOXLLCDWVFPLRIE-UHFFFAOYSA-N
MW172.26 g/mol
LogP0.67
Rot. Bonds3

About 3-ethyl-5-ethylsulfanyl-1,2,4-triazol-4-amine

3-ethyl-5-ethylsulfanyl-1,2,4-triazol-4-amine (PubChem CID 7174100) has the molecular formula C6H12N4S and a molecular weight of 172.26 g/mol. Its IUPAC name is 3-ethyl-5-ethylsulfanyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-ethyl-5-ethylsulfanyl-1,2,4-triazol-4-amine
PubChem CID7174100
Molecular FormulaC6H12N4S
Molecular Weight172.26 g/mol
Exact Mass172.08
IUPAC Name3-ethyl-5-ethylsulfanyl-1,2,4-triazol-4-amine
SMILESCCSc1nnc(CC)n1N
InChIInChI=1S/C6H12N4S/c1-3-5-8-9-6(10(5)7)11-4-2/h3-4,7H2,1-2H3
InChIKeyOXLLCDWVFPLRIE-UHFFFAOYSA-N
XLogP0.67
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.26
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-ethylsulfanyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-ethyl-5-ethylsulfanyl-1,2,4-triazol-4-amine (CID 7174100) is 3-ethyl-5-ethylsulfanyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-ethyl-5-ethylsulfanyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-ethyl-5-ethylsulfanyl-1,2,4-triazol-4-amine is CCSc1nnc(CC)n1N.
What is the InChIKey of 3-ethyl-5-ethylsulfanyl-1,2,4-triazol-4-amine?
The InChIKey is OXLLCDWVFPLRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4S/c1-3-5-8-9-6(10(5)7)11-4-2/h3-4,7H2,1-2H3.
What are the key properties of 3-ethyl-5-ethylsulfanyl-1,2,4-triazol-4-amine?
3-ethyl-5-ethylsulfanyl-1,2,4-triazol-4-amine has a molecular weight of 172.26 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-ethylsulfanyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 7174100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).