N-ethyl-4-methyl-N-pyridin-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide

C18H16N6O — CID 123187729

IUPACN-ethyl-4-methyl-N-pyridin-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
SMILESCCN(C(=O)c1ccc2nc(C)c3nncn3c2c1)c1ccccn1
InChIInChI=1S/C18H16N6O/c1-3-23(16-6-4-5-9-19-16)18(25)13-7-8-14-15(10-13)24-11-20-22-17(24)12(2)21-14/h4-11H,3H2,1-2H3
InChIKeyGYSDBDNBWNSJCY-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.65
Rot. Bonds3

About N-ethyl-4-methyl-N-pyridin-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide

N-ethyl-4-methyl-N-pyridin-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide (PubChem CID 123187729) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is N-ethyl-4-methyl-N-pyridin-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-N-pyridin-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
PubChem CID123187729
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC NameN-ethyl-4-methyl-N-pyridin-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
SMILESCCN(C(=O)c1ccc2nc(C)c3nncn3c2c1)c1ccccn1
InChIInChI=1S/C18H16N6O/c1-3-23(16-6-4-5-9-19-16)18(25)13-7-8-14-15(10-13)24-11-20-22-17(24)12(2)21-14/h4-11H,3H2,1-2H3
InChIKeyGYSDBDNBWNSJCY-UHFFFAOYSA-N
XLogP2.65
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N-pyridin-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The IUPAC name of N-ethyl-4-methyl-N-pyridin-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide (CID 123187729) is N-ethyl-4-methyl-N-pyridin-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide.
What is the SMILES notation for N-ethyl-4-methyl-N-pyridin-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The canonical SMILES for N-ethyl-4-methyl-N-pyridin-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide is CCN(C(=O)c1ccc2nc(C)c3nncn3c2c1)c1ccccn1.
What is the InChIKey of N-ethyl-4-methyl-N-pyridin-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The InChIKey is GYSDBDNBWNSJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-3-23(16-6-4-5-9-19-16)18(25)13-7-8-14-15(10-13)24-11-20-22-17(24)12(2)21-14/h4-11H,3H2,1-2H3.
What are the key properties of N-ethyl-4-methyl-N-pyridin-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
N-ethyl-4-methyl-N-pyridin-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide has a molecular weight of 332.37 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N-pyridin-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide is sourced from PubChem (CID 123187729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).