3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine

C6H8N6S — CID 65267979

IUPAC3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCc2ncn[nH]2)n1
InChIInChI=1S/C6H8N6S/c1-4-10-6(13-12-4)7-2-5-8-3-9-11-5/h3H,2H2,1H3,(H,7,10,12)(H,8,9,11)
InChIKeyDWLIXSMWJVXOBK-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.58
Rot. Bonds3

About 3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine

3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65267979) has the molecular formula C6H8N6S and a molecular weight of 196.24 g/mol. Its IUPAC name is 3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65267979
Molecular FormulaC6H8N6S
Molecular Weight196.24 g/mol
Exact Mass196.05
IUPAC Name3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCc2ncn[nH]2)n1
InChIInChI=1S/C6H8N6S/c1-4-10-6(13-12-4)7-2-5-8-3-9-11-5/h3H,2H2,1H3,(H,7,10,12)(H,8,9,11)
InChIKeyDWLIXSMWJVXOBK-UHFFFAOYSA-N
XLogP0.58
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 65267979) is 3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine is Cc1nsc(NCc2ncn[nH]2)n1.
What is the InChIKey of 3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is DWLIXSMWJVXOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6S/c1-4-10-6(13-12-4)7-2-5-8-3-9-11-5/h3H,2H2,1H3,(H,7,10,12)(H,8,9,11).
What are the key properties of 3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine?
3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 196.24 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).