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

C18H17N5O — CID 22432522

IUPAC1-ethyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCc1nnc2c(Nc3ccccc3OC)nc3ccccc3n12
InChIInChI=1S/C18H17N5O/c1-3-16-21-22-18-17(20-13-9-5-7-11-15(13)24-2)19-12-8-4-6-10-14(12)23(16)18/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyKSEMJEQYKLXEET-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.59
Rot. Bonds4

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

1-ethyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 22432522) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 1-ethyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID22432522
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name1-ethyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCc1nnc2c(Nc3ccccc3OC)nc3ccccc3n12
InChIInChI=1S/C18H17N5O/c1-3-16-21-22-18-17(20-13-9-5-7-11-15(13)24-2)19-12-8-4-6-10-14(12)23(16)18/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyKSEMJEQYKLXEET-UHFFFAOYSA-N
XLogP3.59
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of 1-ethyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 22432522) is 1-ethyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for 1-ethyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for 1-ethyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is CCc1nnc2c(Nc3ccccc3OC)nc3ccccc3n12.
What is the InChIKey of 1-ethyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is KSEMJEQYKLXEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-3-16-21-22-18-17(20-13-9-5-7-11-15(13)24-2)19-12-8-4-6-10-14(12)23(16)18/h4-11H,3H2,1-2H3,(H,19,20).
What are the key properties of 1-ethyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
1-ethyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 319.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 22432522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).