3-(ethylsulfanylmethylsulfanyl)-1H-1,2,4-triazol-5-amine

C5H10N4S2 — CID 131219759

IUPAC3-(ethylsulfanylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
SMILESCCSCSc1n[nH]c(N)n1
InChIInChI=1S/C5H10N4S2/c1-2-10-3-11-5-7-4(6)8-9-5/h2-3H2,1H3,(H3,6,7,8,9)
InChIKeyAGTGZULNKQIGHY-UHFFFAOYSA-N
MW190.30 g/mol
LogP1.19
Rot. Bonds4

About 3-(ethylsulfanylmethylsulfanyl)-1H-1,2,4-triazol-5-amine

3-(ethylsulfanylmethylsulfanyl)-1H-1,2,4-triazol-5-amine (PubChem CID 131219759) has the molecular formula C5H10N4S2 and a molecular weight of 190.30 g/mol. Its IUPAC name is 3-(ethylsulfanylmethylsulfanyl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-(ethylsulfanylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
PubChem CID131219759
Molecular FormulaC5H10N4S2
Molecular Weight190.30 g/mol
Exact Mass190.03
IUPAC Name3-(ethylsulfanylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
SMILESCCSCSc1n[nH]c(N)n1
InChIInChI=1S/C5H10N4S2/c1-2-10-3-11-5-7-4(6)8-9-5/h2-3H2,1H3,(H3,6,7,8,9)
InChIKeyAGTGZULNKQIGHY-UHFFFAOYSA-N
XLogP1.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfanylmethylsulfanyl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-(ethylsulfanylmethylsulfanyl)-1H-1,2,4-triazol-5-amine (CID 131219759) is 3-(ethylsulfanylmethylsulfanyl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-(ethylsulfanylmethylsulfanyl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-(ethylsulfanylmethylsulfanyl)-1H-1,2,4-triazol-5-amine is CCSCSc1n[nH]c(N)n1.
What is the InChIKey of 3-(ethylsulfanylmethylsulfanyl)-1H-1,2,4-triazol-5-amine?
The InChIKey is AGTGZULNKQIGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4S2/c1-2-10-3-11-5-7-4(6)8-9-5/h2-3H2,1H3,(H3,6,7,8,9).
What are the key properties of 3-(ethylsulfanylmethylsulfanyl)-1H-1,2,4-triazol-5-amine?
3-(ethylsulfanylmethylsulfanyl)-1H-1,2,4-triazol-5-amine has a molecular weight of 190.30 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfanylmethylsulfanyl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 131219759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).