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

C17H14BrN5 — CID 22431862

IUPACN-(4-bromo-3-methylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCc1cc(Nc2nc3ccccc3n3c(C)nnc23)ccc1Br
InChIInChI=1S/C17H14BrN5/c1-10-9-12(7-8-13(10)18)19-16-17-22-21-11(2)23(17)15-6-4-3-5-14(15)20-16/h3-9H,1-2H3,(H,19,20)
InChIKeyCPDQZIYTAPEXGB-UHFFFAOYSA-N
MW368.24 g/mol
LogP4.40
Rot. Bonds2

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

N-(4-bromo-3-methylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 22431862) has the molecular formula C17H14BrN5 and a molecular weight of 368.24 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID22431862
Molecular FormulaC17H14BrN5
Molecular Weight368.24 g/mol
Exact Mass367.04
IUPAC NameN-(4-bromo-3-methylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCc1cc(Nc2nc3ccccc3n3c(C)nnc23)ccc1Br
InChIInChI=1S/C17H14BrN5/c1-10-9-12(7-8-13(10)18)19-16-17-22-21-11(2)23(17)15-6-4-3-5-14(15)20-16/h3-9H,1-2H3,(H,19,20)
InChIKeyCPDQZIYTAPEXGB-UHFFFAOYSA-N
XLogP4.40
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22431969
1-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 45106063
N-(2,4-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22431976
4-chloro-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenol
CID 135548693
[4-(4-hydroxyanilino)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-phenylmethanone
CID 135550931
N-(4-bromo-3-methylphenyl)-2-hydrazinylquinazolin-4-amine
CID 80911781
N-(4-bromo-3-methylphenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326150
N-[4-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]acetamide
CID 146342013
4-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]benzoic acid
CID 20921364
1-tert-butyl-3-[4-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]urea
CID 142746083
N-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 20880171
tert-butyl N-[5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]pentyl]carbamate
CID 146342120

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N-(4-bromo-3-methylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 22431862) is N-(4-bromo-3-methylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is Cc1cc(Nc2nc3ccccc3n3c(C)nnc23)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is CPDQZIYTAPEXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN5/c1-10-9-12(7-8-13(10)18)19-16-17-22-21-11(2)23(17)15-6-4-3-5-14(15)20-16/h3-9H,1-2H3,(H,19,20).
What are the key properties of N-(4-bromo-3-methylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N-(4-bromo-3-methylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 368.24 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 22431862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).