3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinoxalin-2-amine

C11H10N6S — CID 102988738

IUPAC3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinoxalin-2-amine
SMILESCn1cnnc1Sc1nc2ccccc2nc1N
InChIInChI=1S/C11H10N6S/c1-17-6-13-16-11(17)18-10-9(12)14-7-4-2-3-5-8(7)15-10/h2-6H,1H3,(H2,12,14)
InChIKeyRLXOBWULDSJZSR-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.49
Rot. Bonds2

About 3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinoxalin-2-amine

3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinoxalin-2-amine (PubChem CID 102988738) has the molecular formula C11H10N6S and a molecular weight of 258.31 g/mol. Its IUPAC name is 3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinoxalin-2-amine
PubChem CID102988738
Molecular FormulaC11H10N6S
Molecular Weight258.31 g/mol
Exact Mass258.07
IUPAC Name3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinoxalin-2-amine
SMILESCn1cnnc1Sc1nc2ccccc2nc1N
InChIInChI=1S/C11H10N6S/c1-17-6-13-16-11(17)18-10-9(12)14-7-4-2-3-5-8(7)15-10/h2-6H,1H3,(H2,12,14)
InChIKeyRLXOBWULDSJZSR-UHFFFAOYSA-N
XLogP1.49
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinoxalin-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

Related Compounds

[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanamine
CID 55238477
4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylquinazolin-2-amine
CID 80869207
6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylpyrimidin-4-amine
CID 115915971
1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanamine
CID 43189336
3-(3-aminoquinoxalin-2-yl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 102988910
[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-4-yl]methanamine
CID 80514737
4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cinnoline-3-carboxylic acid
CID 64622923
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzonitrile
CID 28602383
(1S)-1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
CID 63813692
4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 80882973
1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
CID 63812777
4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole
CID 18708260

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinoxalin-2-amine?
The IUPAC name of 3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinoxalin-2-amine (CID 102988738) is 3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinoxalin-2-amine.
What is the SMILES notation for 3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinoxalin-2-amine?
The canonical SMILES for 3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinoxalin-2-amine is Cn1cnnc1Sc1nc2ccccc2nc1N.
What is the InChIKey of 3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinoxalin-2-amine?
The InChIKey is RLXOBWULDSJZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6S/c1-17-6-13-16-11(17)18-10-9(12)14-7-4-2-3-5-8(7)15-10/h2-6H,1H3,(H2,12,14).
What are the key properties of 3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinoxalin-2-amine?
3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinoxalin-2-amine has a molecular weight of 258.31 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinoxalin-2-amine is sourced from PubChem (CID 102988738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).