1-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine

C10H12N4S — CID 15578942

IUPAC1-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine
SMILESCSc1nc(N)nn1Cc1ccccc1
InChIInChI=1S/C10H12N4S/c1-15-10-12-9(11)13-14(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,11,13)
InChIKeyXPUJUPFORKYBCW-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.63
Rot. Bonds3

About 1-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine

1-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine (PubChem CID 15578942) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 1-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine
PubChem CID15578942
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name1-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine
SMILESCSc1nc(N)nn1Cc1ccccc1
InChIInChI=1S/C10H12N4S/c1-15-10-12-9(11)13-14(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,11,13)
InChIKeyXPUJUPFORKYBCW-UHFFFAOYSA-N
XLogP1.63
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine?
The IUPAC name of 1-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine (CID 15578942) is 1-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine?
The canonical SMILES for 1-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine is CSc1nc(N)nn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine?
The InChIKey is XPUJUPFORKYBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-15-10-12-9(11)13-14(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,11,13).
What are the key properties of 1-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine?
1-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine has a molecular weight of 220.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methylsulfanyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 15578942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).