5-methyl-6-propyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

C14H13F3N4O — CID 56615460

IUPAC5-methyl-6-propyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESCCCc1cc(C(F)(F)F)cc2c1n(C)c(=O)c1nncn12
InChIInChI=1S/C14H13F3N4O/c1-3-4-8-5-9(14(15,16)17)6-10-11(8)20(2)13(22)12-19-18-7-21(10)12/h5-7H,3-4H2,1-2H3
InChIKeyFLTJILBQBDNUMB-UHFFFAOYSA-N
MW310.28 g/mol
LogP2.55
Rot. Bonds2

About 5-methyl-6-propyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

5-methyl-6-propyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (PubChem CID 56615460) has the molecular formula C14H13F3N4O and a molecular weight of 310.28 g/mol. Its IUPAC name is 5-methyl-6-propyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.

Molecular Properties

Compound Name5-methyl-6-propyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
PubChem CID56615460
Molecular FormulaC14H13F3N4O
Molecular Weight310.28 g/mol
Exact Mass310.10
IUPAC Name5-methyl-6-propyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESCCCc1cc(C(F)(F)F)cc2c1n(C)c(=O)c1nncn12
InChIInChI=1S/C14H13F3N4O/c1-3-4-8-5-9(14(15,16)17)6-10-11(8)20(2)13(22)12-19-18-7-21(10)12/h5-7H,3-4H2,1-2H3
InChIKeyFLTJILBQBDNUMB-UHFFFAOYSA-N
XLogP2.55
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-propyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The IUPAC name of 5-methyl-6-propyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (CID 56615460) is 5-methyl-6-propyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.
What is the SMILES notation for 5-methyl-6-propyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The canonical SMILES for 5-methyl-6-propyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is CCCc1cc(C(F)(F)F)cc2c1n(C)c(=O)c1nncn12.
What is the InChIKey of 5-methyl-6-propyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The InChIKey is FLTJILBQBDNUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O/c1-3-4-8-5-9(14(15,16)17)6-10-11(8)20(2)13(22)12-19-18-7-21(10)12/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-methyl-6-propyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
5-methyl-6-propyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-one has a molecular weight of 310.28 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-propyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is sourced from PubChem (CID 56615460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).