1-methyl-2-(2H-tetrazol-5-yl)-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one

C13H8F3N7O — CID 15224980

IUPAC1-methyl-2-(2H-tetrazol-5-yl)-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one
SMILESCc1c(-c2nn[nH]n2)nc2c(=O)[nH]c3cc(C(F)(F)F)ccc3n12
InChIInChI=1S/C13H8F3N7O/c1-5-9(10-19-21-22-20-10)18-11-12(24)17-7-4-6(13(14,15)16)2-3-8(7)23(5)11/h2-4H,1H3,(H,17,24)(H,19,20,21,22)
InChIKeyVZSPQEZHLMLTFA-UHFFFAOYSA-N
MW335.25 g/mol
LogP1.68
Rot. Bonds1

About 1-methyl-2-(2H-tetrazol-5-yl)-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one

1-methyl-2-(2H-tetrazol-5-yl)-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one (PubChem CID 15224980) has the molecular formula C13H8F3N7O and a molecular weight of 335.25 g/mol. Its IUPAC name is 1-methyl-2-(2H-tetrazol-5-yl)-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one.

Molecular Properties

Compound Name1-methyl-2-(2H-tetrazol-5-yl)-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one
PubChem CID15224980
Molecular FormulaC13H8F3N7O
Molecular Weight335.25 g/mol
Exact Mass335.07
IUPAC Name1-methyl-2-(2H-tetrazol-5-yl)-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one
SMILESCc1c(-c2nn[nH]n2)nc2c(=O)[nH]c3cc(C(F)(F)F)ccc3n12
InChIInChI=1S/C13H8F3N7O/c1-5-9(10-19-21-22-20-10)18-11-12(24)17-7-4-6(13(14,15)16)2-3-8(7)23(5)11/h2-4H,1H3,(H,17,24)(H,19,20,21,22)
InChIKeyVZSPQEZHLMLTFA-UHFFFAOYSA-N
XLogP1.68
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2H-tetrazol-5-yl)-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one?
The IUPAC name of 1-methyl-2-(2H-tetrazol-5-yl)-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one (CID 15224980) is 1-methyl-2-(2H-tetrazol-5-yl)-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one.
What is the SMILES notation for 1-methyl-2-(2H-tetrazol-5-yl)-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one?
The canonical SMILES for 1-methyl-2-(2H-tetrazol-5-yl)-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one is Cc1c(-c2nn[nH]n2)nc2c(=O)[nH]c3cc(C(F)(F)F)ccc3n12.
What is the InChIKey of 1-methyl-2-(2H-tetrazol-5-yl)-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one?
The InChIKey is VZSPQEZHLMLTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N7O/c1-5-9(10-19-21-22-20-10)18-11-12(24)17-7-4-6(13(14,15)16)2-3-8(7)23(5)11/h2-4H,1H3,(H,17,24)(H,19,20,21,22).
What are the key properties of 1-methyl-2-(2H-tetrazol-5-yl)-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one?
1-methyl-2-(2H-tetrazol-5-yl)-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one has a molecular weight of 335.25 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2H-tetrazol-5-yl)-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one is sourced from PubChem (CID 15224980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).