methyl 2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate

C17H14N4O2 — CID 118721210

IUPACmethyl 2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate
SMILESCOC(=O)N1Cc2nc(-c3ccccc3)nn2-c2ccccc21
InChIInChI=1S/C17H14N4O2/c1-23-17(22)20-11-15-18-16(12-7-3-2-4-8-12)19-21(15)14-10-6-5-9-13(14)20/h2-10H,11H2,1H3
InChIKeyIPWONRAIGWPFCF-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.02
Rot. Bonds1

About methyl 2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate

methyl 2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate (PubChem CID 118721210) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is methyl 2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate
PubChem CID118721210
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Namemethyl 2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate
SMILESCOC(=O)N1Cc2nc(-c3ccccc3)nn2-c2ccccc21
InChIInChI=1S/C17H14N4O2/c1-23-17(22)20-11-15-18-16(12-7-3-2-4-8-12)19-21(15)14-10-6-5-9-13(14)20/h2-10H,11H2,1H3
InChIKeyIPWONRAIGWPFCF-UHFFFAOYSA-N
XLogP3.02
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate?
The IUPAC name of methyl 2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate (CID 118721210) is methyl 2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate.
What is the SMILES notation for methyl 2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate?
The canonical SMILES for methyl 2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate is COC(=O)N1Cc2nc(-c3ccccc3)nn2-c2ccccc21.
What is the InChIKey of methyl 2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate?
The InChIKey is IPWONRAIGWPFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-23-17(22)20-11-15-18-16(12-7-3-2-4-8-12)19-21(15)14-10-6-5-9-13(14)20/h2-10H,11H2,1H3.
What are the key properties of methyl 2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate?
methyl 2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate has a molecular weight of 306.33 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate is sourced from PubChem (CID 118721210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).