2-methyl-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-amine

C6H12N4S — CID 104605278

IUPAC2-methyl-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-amine
SMILESCSCCc1nc(N)n(C)n1
InChIInChI=1S/C6H12N4S/c1-10-6(7)8-5(9-10)3-4-11-2/h3-4H2,1-2H3,(H2,7,8,9)
InChIKeyHPIAUBKQLQJWCH-UHFFFAOYSA-N
MW172.26 g/mol
LogP0.30
Rot. Bonds3

About 2-methyl-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-amine

2-methyl-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-amine (PubChem CID 104605278) has the molecular formula C6H12N4S and a molecular weight of 172.26 g/mol. Its IUPAC name is 2-methyl-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-methyl-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-amine
PubChem CID104605278
Molecular FormulaC6H12N4S
Molecular Weight172.26 g/mol
Exact Mass172.08
IUPAC Name2-methyl-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-amine
SMILESCSCCc1nc(N)n(C)n1
InChIInChI=1S/C6H12N4S/c1-10-6(7)8-5(9-10)3-4-11-2/h3-4H2,1-2H3,(H2,7,8,9)
InChIKeyHPIAUBKQLQJWCH-UHFFFAOYSA-N
XLogP0.30
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 ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-amine?
The IUPAC name of 2-methyl-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-amine (CID 104605278) is 2-methyl-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-methyl-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 2-methyl-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-amine is CSCCc1nc(N)n(C)n1.
What is the InChIKey of 2-methyl-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-amine?
The InChIKey is HPIAUBKQLQJWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4S/c1-10-6(7)8-5(9-10)3-4-11-2/h3-4H2,1-2H3,(H2,7,8,9).
What are the key properties of 2-methyl-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-amine?
2-methyl-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-amine has a molecular weight of 172.26 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 104605278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).