N-(2-ethyl-6-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C18H17N5 — CID 22431308

IUPACN-(2-ethyl-6-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCc1cccc(C)c1Nc1nc2ccccc2n2cnnc12
InChIInChI=1S/C18H17N5/c1-3-13-8-6-7-12(2)16(13)21-17-18-22-19-11-23(18)15-10-5-4-9-14(15)20-17/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyVKLRZULZIPKOSX-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.89
Rot. Bonds3

About N-(2-ethyl-6-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

N-(2-ethyl-6-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 22431308) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID22431308
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC NameN-(2-ethyl-6-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCc1cccc(C)c1Nc1nc2ccccc2n2cnnc12
InChIInChI=1S/C18H17N5/c1-3-13-8-6-7-12(2)16(13)21-17-18-22-19-11-23(18)15-10-5-4-9-14(15)20-17/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyVKLRZULZIPKOSX-UHFFFAOYSA-N
XLogP3.89
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 22431308) is N-(2-ethyl-6-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is CCc1cccc(C)c1Nc1nc2ccccc2n2cnnc12.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is VKLRZULZIPKOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-3-13-8-6-7-12(2)16(13)21-17-18-22-19-11-23(18)15-10-5-4-9-14(15)20-17/h4-11H,3H2,1-2H3,(H,20,21).
What are the key properties of N-(2-ethyl-6-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N-(2-ethyl-6-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 303.37 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 22431308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).