4-methylsulfanyl-6-quinoxalin-6-yl-1,3,5-triazin-2-amine

C12H10N6S — CID 83084099

IUPAC4-methylsulfanyl-6-quinoxalin-6-yl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(-c2ccc3nccnc3c2)n1
InChIInChI=1S/C12H10N6S/c1-19-12-17-10(16-11(13)18-12)7-2-3-8-9(6-7)15-5-4-14-8/h2-6H,1H3,(H2,13,16,17,18)
InChIKeyGVPNQTAVBYODRO-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.79
Rot. Bonds2

About 4-methylsulfanyl-6-quinoxalin-6-yl-1,3,5-triazin-2-amine

4-methylsulfanyl-6-quinoxalin-6-yl-1,3,5-triazin-2-amine (PubChem CID 83084099) has the molecular formula C12H10N6S and a molecular weight of 270.32 g/mol. Its IUPAC name is 4-methylsulfanyl-6-quinoxalin-6-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-quinoxalin-6-yl-1,3,5-triazin-2-amine
PubChem CID83084099
Molecular FormulaC12H10N6S
Molecular Weight270.32 g/mol
Exact Mass270.07
IUPAC Name4-methylsulfanyl-6-quinoxalin-6-yl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(-c2ccc3nccnc3c2)n1
InChIInChI=1S/C12H10N6S/c1-19-12-17-10(16-11(13)18-12)7-2-3-8-9(6-7)15-5-4-14-8/h2-6H,1H3,(H2,13,16,17,18)
InChIKeyGVPNQTAVBYODRO-UHFFFAOYSA-N
XLogP1.79
TPSA90.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methylsulfanyl-6-quinoxalin-6-yl-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-quinoxalin-6-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-quinoxalin-6-yl-1,3,5-triazin-2-amine (CID 83084099) is 4-methylsulfanyl-6-quinoxalin-6-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-quinoxalin-6-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-quinoxalin-6-yl-1,3,5-triazin-2-amine is CSc1nc(N)nc(-c2ccc3nccnc3c2)n1.
What is the InChIKey of 4-methylsulfanyl-6-quinoxalin-6-yl-1,3,5-triazin-2-amine?
The InChIKey is GVPNQTAVBYODRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6S/c1-19-12-17-10(16-11(13)18-12)7-2-3-8-9(6-7)15-5-4-14-8/h2-6H,1H3,(H2,13,16,17,18).
What are the key properties of 4-methylsulfanyl-6-quinoxalin-6-yl-1,3,5-triazin-2-amine?
4-methylsulfanyl-6-quinoxalin-6-yl-1,3,5-triazin-2-amine has a molecular weight of 270.32 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-6-quinoxalin-6-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 83084099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).