1-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine

C9H10N4S — CID 130923350

IUPAC1-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine
SMILESCSc1ccc(-n2cnc(N)n2)cc1
InChIInChI=1S/C9H10N4S/c1-14-8-4-2-7(3-5-8)13-6-11-9(10)12-13/h2-6H,1H3,(H2,10,12)
InChIKeyGYODVQGFNLAZGT-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.57
Rot. Bonds2

About 1-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine

1-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine (PubChem CID 130923350) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine
PubChem CID130923350
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name1-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine
SMILESCSc1ccc(-n2cnc(N)n2)cc1
InChIInChI=1S/C9H10N4S/c1-14-8-4-2-7(3-5-8)13-6-11-9(10)12-13/h2-6H,1H3,(H2,10,12)
InChIKeyGYODVQGFNLAZGT-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 1-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine (CID 130923350) is 1-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine is CSc1ccc(-n2cnc(N)n2)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine?
The InChIKey is GYODVQGFNLAZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c1-14-8-4-2-7(3-5-8)13-6-11-9(10)12-13/h2-6H,1H3,(H2,10,12).
What are the key properties of 1-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine?
1-(4-methylsulfanylphenyl)-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 1-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 130923350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).