N-(3,4-dimethylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C18H17N5 — CID 22431376

IUPACN-(3,4-dimethylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCc1ccc2nc(Nc3ccc(C)c(C)c3)c3nncn3c2c1
InChIInChI=1S/C18H17N5/c1-11-4-7-15-16(8-11)23-10-19-22-18(23)17(21-15)20-14-6-5-12(2)13(3)9-14/h4-10H,1-3H3,(H,20,21)
InChIKeyKNCDJDLDHVGFQI-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.95
Rot. Bonds2

About N-(3,4-dimethylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

N-(3,4-dimethylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 22431376) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID22431376
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC NameN-(3,4-dimethylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCc1ccc2nc(Nc3ccc(C)c(C)c3)c3nncn3c2c1
InChIInChI=1S/C18H17N5/c1-11-4-7-15-16(8-11)23-10-19-22-18(23)17(21-15)20-14-6-5-12(2)13(3)9-14/h4-10H,1-3H3,(H,20,21)
InChIKeyKNCDJDLDHVGFQI-UHFFFAOYSA-N
XLogP3.95
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dimethylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-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

Bms 345541
CID 9926054
5-methyl-N-(naphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 660996
Ldn-212854
CID 60182388
4(2'-Aminoethyl)amino-1,8-dimethylimidazo(1,2-a)quinoxaline
CID 9813758
N-(3,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 777184
Eapb-0203
CID 24779760
2-Phenylimidazo[2,1-a]phthalazin-6-amine
CID 3765310
Methyl[2-({12-methyl-11,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,12,14,16-octaen-16-yl}amino)ethyl]amine
CID 9796523
2-({12-Methyl-11,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,12,14,16-octaen-16-yl}amino)ethan-1-ol
CID 9922100
12-methyl-N-[2-(piperidin-1-yl)ethyl]-11,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,12,14,16-octaen-16-amine
CID 10109125
N,12-dimethyl-11,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,12,14,16-octaen-16-amine
CID 16663529
N-(2-naphthyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 24882111

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 22431376) is N-(3,4-dimethylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is Cc1ccc2nc(Nc3ccc(C)c(C)c3)c3nncn3c2c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is KNCDJDLDHVGFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-11-4-7-15-16(8-11)23-10-19-22-18(23)17(21-15)20-14-6-5-12(2)13(3)9-14/h4-10H,1-3H3,(H,20,21).
What are the key properties of N-(3,4-dimethylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N-(3,4-dimethylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 303.37 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 22431376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).