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

C4H4N6S — CID 43556072

IUPAC3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(-c2ncn[nH]2)ns1
InChIInChI=1S/C4H4N6S/c5-4-8-3(10-11-4)2-6-1-7-9-2/h1H,(H2,5,8,10)(H,6,7,9)
InChIKeyLLIKNLXITKMJSH-UHFFFAOYSA-N
MW168.19 g/mol
LogP-0.09
Rot. Bonds1

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

3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 43556072) has the molecular formula C4H4N6S and a molecular weight of 168.19 g/mol. Its IUPAC name is 3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine
PubChem CID43556072
Molecular FormulaC4H4N6S
Molecular Weight168.19 g/mol
Exact Mass168.02
IUPAC Name3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(-c2ncn[nH]2)ns1
InChIInChI=1S/C4H4N6S/c5-4-8-3(10-11-4)2-6-1-7-9-2/h1H,(H2,5,8,10)(H,6,7,9)
InChIKeyLLIKNLXITKMJSH-UHFFFAOYSA-N
XLogP-0.09
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine (CID 43556072) is 3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine is Nc1nc(-c2ncn[nH]2)ns1.
What is the InChIKey of 3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is LLIKNLXITKMJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N6S/c5-4-8-3(10-11-4)2-6-1-7-9-2/h1H,(H2,5,8,10)(H,6,7,9).
What are the key properties of 3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine?
3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 168.19 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 43556072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).