3-methyl-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine

C6H8N6S2 — CID 133427811

IUPAC3-methyl-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine
SMILESCc1nsc(Sc2nnc(C)n2N)n1
InChIInChI=1S/C6H8N6S2/c1-3-8-6(14-11-3)13-5-10-9-4(2)12(5)7/h7H2,1-2H3
InChIKeyUZCWUQADILOSBC-UHFFFAOYSA-N
MW228.31 g/mol
LogP0.61
Rot. Bonds2

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

3-methyl-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine (PubChem CID 133427811) has the molecular formula C6H8N6S2 and a molecular weight of 228.31 g/mol. Its IUPAC name is 3-methyl-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-methyl-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine
PubChem CID133427811
Molecular FormulaC6H8N6S2
Molecular Weight228.31 g/mol
Exact Mass228.03
IUPAC Name3-methyl-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine
SMILESCc1nsc(Sc2nnc(C)n2N)n1
InChIInChI=1S/C6H8N6S2/c1-3-8-6(14-11-3)13-5-10-9-4(2)12(5)7/h7H2,1-2H3
InChIKeyUZCWUQADILOSBC-UHFFFAOYSA-N
XLogP0.61
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine?
The IUPAC name of 3-methyl-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine (CID 133427811) is 3-methyl-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-methyl-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine?
The canonical SMILES for 3-methyl-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine is Cc1nsc(Sc2nnc(C)n2N)n1.
What is the InChIKey of 3-methyl-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine?
The InChIKey is UZCWUQADILOSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6S2/c1-3-8-6(14-11-3)13-5-10-9-4(2)12(5)7/h7H2,1-2H3.
What are the key properties of 3-methyl-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine?
3-methyl-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine has a molecular weight of 228.31 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine is sourced from PubChem (CID 133427811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).