4-methyl-1-(2-nitrophenyl)-[1,2,4]triazolo[4,3-a]quinoxaline

C16H11N5O2 — CID 57403308

IUPAC4-methyl-1-(2-nitrophenyl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1nc2ccccc2n2c(-c3ccccc3[N+](=O)[O-])nnc12
InChIInChI=1S/C16H11N5O2/c1-10-15-18-19-16(11-6-2-4-8-13(11)21(22)23)20(15)14-9-5-3-7-12(14)17-10/h2-9H,1H3
InChIKeyQKWYLCALFFTEAL-UHFFFAOYSA-N
MW305.30 g/mol
LogP3.16
Rot. Bonds2

About 4-methyl-1-(2-nitrophenyl)-[1,2,4]triazolo[4,3-a]quinoxaline

4-methyl-1-(2-nitrophenyl)-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 57403308) has the molecular formula C16H11N5O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is 4-methyl-1-(2-nitrophenyl)-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name4-methyl-1-(2-nitrophenyl)-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID57403308
Molecular FormulaC16H11N5O2
Molecular Weight305.30 g/mol
Exact Mass305.09
IUPAC Name4-methyl-1-(2-nitrophenyl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1nc2ccccc2n2c(-c3ccccc3[N+](=O)[O-])nnc12
InChIInChI=1S/C16H11N5O2/c1-10-15-18-19-16(11-6-2-4-8-13(11)21(22)23)20(15)14-9-5-3-7-12(14)17-10/h2-9H,1H3
InChIKeyQKWYLCALFFTEAL-UHFFFAOYSA-N
XLogP3.16
TPSA86.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-nitrophenyl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 4-methyl-1-(2-nitrophenyl)-[1,2,4]triazolo[4,3-a]quinoxaline (CID 57403308) is 4-methyl-1-(2-nitrophenyl)-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 4-methyl-1-(2-nitrophenyl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 4-methyl-1-(2-nitrophenyl)-[1,2,4]triazolo[4,3-a]quinoxaline is Cc1nc2ccccc2n2c(-c3ccccc3[N+](=O)[O-])nnc12.
What is the InChIKey of 4-methyl-1-(2-nitrophenyl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is QKWYLCALFFTEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O2/c1-10-15-18-19-16(11-6-2-4-8-13(11)21(22)23)20(15)14-9-5-3-7-12(14)17-10/h2-9H,1H3.
What are the key properties of 4-methyl-1-(2-nitrophenyl)-[1,2,4]triazolo[4,3-a]quinoxaline?
4-methyl-1-(2-nitrophenyl)-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 305.30 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-nitrophenyl)-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 57403308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).