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

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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).