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

C19H17N5O — CID 71153086

IUPACN-ethyl-4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
SMILESCCNC(=O)c1ccc2nc(C)c3nnc(-c4ccccc4)n3c2c1
InChIInChI=1S/C19H17N5O/c1-3-20-19(25)14-9-10-15-16(11-14)24-17(12(2)21-15)22-23-18(24)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,20,25)
InChIKeyZQOHAFYHYPKHNN-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.00
Rot. Bonds3

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

N-ethyl-4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide (PubChem CID 71153086) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
PubChem CID71153086
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC NameN-ethyl-4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
SMILESCCNC(=O)c1ccc2nc(C)c3nnc(-c4ccccc4)n3c2c1
InChIInChI=1S/C19H17N5O/c1-3-20-19(25)14-9-10-15-16(11-14)24-17(12(2)21-15)22-23-18(24)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,20,25)
InChIKeyZQOHAFYHYPKHNN-UHFFFAOYSA-N
XLogP3.00
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The IUPAC name of N-ethyl-4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide (CID 71153086) is N-ethyl-4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide.
What is the SMILES notation for N-ethyl-4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The canonical SMILES for N-ethyl-4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide is CCNC(=O)c1ccc2nc(C)c3nnc(-c4ccccc4)n3c2c1.
What is the InChIKey of N-ethyl-4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The InChIKey is ZQOHAFYHYPKHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-3-20-19(25)14-9-10-15-16(11-14)24-17(12(2)21-15)22-23-18(24)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,20,25).
What are the key properties of N-ethyl-4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
N-ethyl-4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide is sourced from PubChem (CID 71153086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).