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

C18H16N6O — CID 71153186

IUPACN-ethyl-4-methyl-1-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
SMILESCCNC(=O)c1ccc2nc(C)c3nnc(-c4ccncc4)n3c2c1
InChIInChI=1S/C18H16N6O/c1-3-20-18(25)13-4-5-14-15(10-13)24-16(11(2)21-14)22-23-17(24)12-6-8-19-9-7-12/h4-10H,3H2,1-2H3,(H,20,25)
InChIKeyLUPWGSHPWCTGJI-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.40
Rot. Bonds3

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

N-ethyl-4-methyl-1-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide (PubChem CID 71153186) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
PubChem CID71153186
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC NameN-ethyl-4-methyl-1-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
SMILESCCNC(=O)c1ccc2nc(C)c3nnc(-c4ccncc4)n3c2c1
InChIInChI=1S/C18H16N6O/c1-3-20-18(25)13-4-5-14-15(10-13)24-16(11(2)21-14)22-23-17(24)12-6-8-19-9-7-12/h4-10H,3H2,1-2H3,(H,20,25)
InChIKeyLUPWGSHPWCTGJI-UHFFFAOYSA-N
XLogP2.40
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The IUPAC name of N-ethyl-4-methyl-1-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide (CID 71153186) is N-ethyl-4-methyl-1-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide.
What is the SMILES notation for N-ethyl-4-methyl-1-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The canonical SMILES for N-ethyl-4-methyl-1-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide is CCNC(=O)c1ccc2nc(C)c3nnc(-c4ccncc4)n3c2c1.
What is the InChIKey of N-ethyl-4-methyl-1-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The InChIKey is LUPWGSHPWCTGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-3-20-18(25)13-4-5-14-15(10-13)24-16(11(2)21-14)22-23-17(24)12-6-8-19-9-7-12/h4-10H,3H2,1-2H3,(H,20,25).
What are the key properties of N-ethyl-4-methyl-1-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
N-ethyl-4-methyl-1-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide has a molecular weight of 332.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-pyridin-4-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide is sourced from PubChem (CID 71153186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).