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

C19H18N6O — CID 71153351

IUPACN-ethyl-4-methyl-1-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
SMILESCCNC(=O)c1ccc2nc(C)c3nnc(-c4cccnc4C)n3c2c1
InChIInChI=1S/C19H18N6O/c1-4-20-19(26)13-7-8-15-16(10-13)25-17(12(3)22-15)23-24-18(25)14-6-5-9-21-11(14)2/h5-10H,4H2,1-3H3,(H,20,26)
InChIKeyGXLBTPXQMQEFQS-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.71
Rot. Bonds3

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

N-ethyl-4-methyl-1-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide (PubChem CID 71153351) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
PubChem CID71153351
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC NameN-ethyl-4-methyl-1-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
SMILESCCNC(=O)c1ccc2nc(C)c3nnc(-c4cccnc4C)n3c2c1
InChIInChI=1S/C19H18N6O/c1-4-20-19(26)13-7-8-15-16(10-13)25-17(12(3)22-15)23-24-18(25)14-6-5-9-21-11(14)2/h5-10H,4H2,1-3H3,(H,20,26)
InChIKeyGXLBTPXQMQEFQS-UHFFFAOYSA-N
XLogP2.71
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.71
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-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The IUPAC name of N-ethyl-4-methyl-1-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide (CID 71153351) is N-ethyl-4-methyl-1-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide.
What is the SMILES notation for N-ethyl-4-methyl-1-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The canonical SMILES for N-ethyl-4-methyl-1-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide is CCNC(=O)c1ccc2nc(C)c3nnc(-c4cccnc4C)n3c2c1.
What is the InChIKey of N-ethyl-4-methyl-1-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The InChIKey is GXLBTPXQMQEFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-4-20-19(26)13-7-8-15-16(10-13)25-17(12(3)22-15)23-24-18(25)14-6-5-9-21-11(14)2/h5-10H,4H2,1-3H3,(H,20,26).
What are the key properties of N-ethyl-4-methyl-1-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
N-ethyl-4-methyl-1-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.71, 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-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide is sourced from PubChem (CID 71153351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).