N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)quinoxalin-2-amine

C12H12N6S — CID 108773944

IUPACN-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)quinoxalin-2-amine
SMILESCCSc1n[nH]c(Nc2cnc3ccccc3n2)n1
InChIInChI=1S/C12H12N6S/c1-2-19-12-16-11(17-18-12)15-10-7-13-8-5-3-4-6-9(8)14-10/h3-7H,2H2,1H3,(H2,14,15,16,17,18)
InChIKeyKWAJHIIRBSSMDU-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.60
Rot. Bonds4

About N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)quinoxalin-2-amine

N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)quinoxalin-2-amine (PubChem CID 108773944) has the molecular formula C12H12N6S and a molecular weight of 272.34 g/mol. Its IUPAC name is N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)quinoxalin-2-amine.

Molecular Properties

Compound NameN-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)quinoxalin-2-amine
PubChem CID108773944
Molecular FormulaC12H12N6S
Molecular Weight272.34 g/mol
Exact Mass272.08
IUPAC NameN-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)quinoxalin-2-amine
SMILESCCSc1n[nH]c(Nc2cnc3ccccc3n2)n1
InChIInChI=1S/C12H12N6S/c1-2-19-12-16-11(17-18-12)15-10-7-13-8-5-3-4-6-9(8)14-10/h3-7H,2H2,1H3,(H2,14,15,16,17,18)
InChIKeyKWAJHIIRBSSMDU-UHFFFAOYSA-N
XLogP2.60
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)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

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)quinoxalin-2-amine?
The IUPAC name of N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)quinoxalin-2-amine (CID 108773944) is N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)quinoxalin-2-amine.
What is the SMILES notation for N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)quinoxalin-2-amine?
The canonical SMILES for N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)quinoxalin-2-amine is CCSc1n[nH]c(Nc2cnc3ccccc3n2)n1.
What is the InChIKey of N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)quinoxalin-2-amine?
The InChIKey is KWAJHIIRBSSMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6S/c1-2-19-12-16-11(17-18-12)15-10-7-13-8-5-3-4-6-9(8)14-10/h3-7H,2H2,1H3,(H2,14,15,16,17,18).
What are the key properties of N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)quinoxalin-2-amine?
N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)quinoxalin-2-amine has a molecular weight of 272.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)quinoxalin-2-amine is sourced from PubChem (CID 108773944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).