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

C17H15N5 — CID 6619923

IUPACN-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCc1cccc(N(C)c2nc3ccccc3n3cnnc23)c1
InChIInChI=1S/C17H15N5/c1-12-6-5-7-13(10-12)21(2)16-17-20-18-11-22(17)15-9-4-3-8-14(15)19-16/h3-11H,1-2H3
InChIKeyDJMGZEHHAWBKBD-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.35
Rot. Bonds2

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

N-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 6619923) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID6619923
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC NameN-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCc1cccc(N(C)c2nc3ccccc3n3cnnc23)c1
InChIInChI=1S/C17H15N5/c1-12-6-5-7-13(10-12)21(2)16-17-20-18-11-22(17)15-9-4-3-8-14(15)19-16/h3-11H,1-2H3
InChIKeyDJMGZEHHAWBKBD-UHFFFAOYSA-N
XLogP3.35
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 102059594
N-acetyl-N-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)acetamide
CID 13385787
N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156536787
4-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 6460812
8-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 20880203
N-[3-(4-methoxyphenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156537343
N-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 20880171
N-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22431320
N-methyl-N-(3-methylphenyl)-1H-benzimidazol-2-amine
CID 115143817
N-[3-(4-tert-butylphenyl)phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156537093
4-(4-propan-2-ylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 7677782
N-methyl-N-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156536634

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 6619923) is N-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is Cc1cccc(N(C)c2nc3ccccc3n3cnnc23)c1.
What is the InChIKey of N-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is DJMGZEHHAWBKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-12-6-5-7-13(10-12)21(2)16-17-20-18-11-22(17)15-9-4-3-8-14(15)19-16/h3-11H,1-2H3.
What are the key properties of N-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 289.34 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 6619923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).