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

C17H15N5 — CID 22431304

IUPACN-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCc1ccc(Nc2nc3ccccc3n3cnnc23)cc1C
InChIInChI=1S/C17H15N5/c1-11-7-8-13(9-12(11)2)19-16-17-21-18-10-22(17)15-6-4-3-5-14(15)20-16/h3-10H,1-2H3,(H,19,20)
InChIKeyITELTLKEBPEBOG-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.64
Rot. Bonds2

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

N-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 22431304) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID22431304
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC NameN-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCc1ccc(Nc2nc3ccccc3n3cnnc23)cc1C
InChIInChI=1S/C17H15N5/c1-11-7-8-13(9-12(11)2)19-16-17-21-18-10-22(17)15-6-4-3-5-14(15)20-16/h3-10H,1-2H3,(H,19,20)
InChIKeyITELTLKEBPEBOG-UHFFFAOYSA-N
XLogP3.64
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 22431304) is N-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is Cc1ccc(Nc2nc3ccccc3n3cnnc23)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is ITELTLKEBPEBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-11-7-8-13(9-12(11)2)19-16-17-21-18-10-22(17)15-6-4-3-5-14(15)20-16/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 289.34 g/mol, XLogP of 3.64, 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)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 22431304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).