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

C9H10N4S — CID 2818502

IUPAC5-methylsulfanyl-2-phenyl-1,2,4-triazol-3-amine
SMILESCSc1nc(N)n(-c2ccccc2)n1
InChIInChI=1S/C9H10N4S/c1-14-9-11-8(10)13(12-9)7-5-3-2-4-6-7/h2-6H,1H3,(H2,10,11,12)
InChIKeyBBKFWNMLFVXYLO-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.57
Rot. Bonds2

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

5-methylsulfanyl-2-phenyl-1,2,4-triazol-3-amine (PubChem CID 2818502) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is 5-methylsulfanyl-2-phenyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-methylsulfanyl-2-phenyl-1,2,4-triazol-3-amine
PubChem CID2818502
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name5-methylsulfanyl-2-phenyl-1,2,4-triazol-3-amine
SMILESCSc1nc(N)n(-c2ccccc2)n1
InChIInChI=1S/C9H10N4S/c1-14-9-11-8(10)13(12-9)7-5-3-2-4-6-7/h2-6H,1H3,(H2,10,11,12)
InChIKeyBBKFWNMLFVXYLO-UHFFFAOYSA-N
XLogP1.57
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-2-phenyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-methylsulfanyl-2-phenyl-1,2,4-triazol-3-amine (CID 2818502) is 5-methylsulfanyl-2-phenyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-methylsulfanyl-2-phenyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-methylsulfanyl-2-phenyl-1,2,4-triazol-3-amine is CSc1nc(N)n(-c2ccccc2)n1.
What is the InChIKey of 5-methylsulfanyl-2-phenyl-1,2,4-triazol-3-amine?
The InChIKey is BBKFWNMLFVXYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c1-14-9-11-8(10)13(12-9)7-5-3-2-4-6-7/h2-6H,1H3,(H2,10,11,12).
What are the key properties of 5-methylsulfanyl-2-phenyl-1,2,4-triazol-3-amine?
5-methylsulfanyl-2-phenyl-1,2,4-triazol-3-amine has a molecular weight of 206.27 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-2-phenyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 2818502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).