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

C16H12ClN5 — CID 22431392

IUPACN-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCc1ccc2nc(Nc3ccc(Cl)cc3)c3nncn3c2c1
InChIInChI=1S/C16H12ClN5/c1-10-2-7-13-14(8-10)22-9-18-21-16(22)15(20-13)19-12-5-3-11(17)4-6-12/h2-9H,1H3,(H,19,20)
InChIKeyRCTPAKOSYJUROT-UHFFFAOYSA-N
MW309.76 g/mol
LogP3.98
Rot. Bonds2

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

N-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 22431392) has the molecular formula C16H12ClN5 and a molecular weight of 309.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID22431392
Molecular FormulaC16H12ClN5
Molecular Weight309.76 g/mol
Exact Mass309.08
IUPAC NameN-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCc1ccc2nc(Nc3ccc(Cl)cc3)c3nncn3c2c1
InChIInChI=1S/C16H12ClN5/c1-10-2-7-13-14(8-10)22-9-18-21-16(22)15(20-13)19-12-5-3-11(17)4-6-12/h2-9H,1H3,(H,19,20)
InChIKeyRCTPAKOSYJUROT-UHFFFAOYSA-N
XLogP3.98
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-Chloro-1-phenyl-(1,2,4)triazolo(4,3-a)quinoxalin-4-amine
CID 124473
1-(2-Chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 56933838
5-[(4s)-6-(4-Chlorophenyl)-1,4-Dimethyl-5,6-Dihydro-4h-[1,2,4]triazolo[4,3-A][1,5]benzodiazepin-8-Yl]pyridin-2-Amine
CID 71003537
Pde2/pde10-IN-1
CID 71295299
5-[(4r)-6-(4-Chlorophenyl)-1,4-Dimethyl-5,6-Dihydro-4h-[1,2,4]triazolo[4,3-A][1,5]benzodiazepin-8-Yl]pyridin-2-Amine
CID 71466419
N-(3-chloro-4-methylphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 5295764
[1,2,4]Triazolo[4,3-a]quinoxalin-4-amine, 8-chloro-N-(2-methylcyclohexyl)-
CID 20889067
US9056863, Example Ia2
CID 71295288
4-Benzyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 46945880
8-methyl-N-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 15989757
N-(4-fluorobenzyl)-8-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 15989759
N-(4-methylphenyl)-4-tetrazolo[1,5-a]quinoxalinamine
CID 16193211

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 22431392) is N-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is Cc1ccc2nc(Nc3ccc(Cl)cc3)c3nncn3c2c1.
What is the InChIKey of N-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is RCTPAKOSYJUROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5/c1-10-2-7-13-14(8-10)22-9-18-21-16(22)15(20-13)19-12-5-3-11(17)4-6-12/h2-9H,1H3,(H,19,20).
What are the key properties of N-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 309.76 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 22431392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).