4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-amine

C10H6F3N5 — CID 1470942

IUPAC4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-amine
SMILESNc1nnc2c(C(F)(F)F)nc3ccccc3n12
InChIInChI=1S/C10H6F3N5/c11-10(12,13)7-8-16-17-9(14)18(8)6-4-2-1-3-5(6)15-7/h1-4H,(H2,14,17)
InChIKeyAEGGOLBRZINYTE-UHFFFAOYSA-N
MW253.19 g/mol
LogP1.88
Rot. Bonds

About 4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-amine

4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-amine (PubChem CID 1470942) has the molecular formula C10H6F3N5 and a molecular weight of 253.19 g/mol. Its IUPAC name is 4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-amine
PubChem CID1470942
Molecular FormulaC10H6F3N5
Molecular Weight253.19 g/mol
Exact Mass253.06
IUPAC Name4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-amine
SMILESNc1nnc2c(C(F)(F)F)nc3ccccc3n12
InChIInChI=1S/C10H6F3N5/c11-10(12,13)7-8-16-17-9(14)18(8)6-4-2-1-3-5(6)15-7/h1-4H,(H2,14,17)
InChIKeyAEGGOLBRZINYTE-UHFFFAOYSA-N
XLogP1.88
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.19
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-amine?
The IUPAC name of 4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-amine (CID 1470942) is 4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-amine.
What is the SMILES notation for 4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-amine?
The canonical SMILES for 4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-amine is Nc1nnc2c(C(F)(F)F)nc3ccccc3n12.
What is the InChIKey of 4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-amine?
The InChIKey is AEGGOLBRZINYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N5/c11-10(12,13)7-8-16-17-9(14)18(8)6-4-2-1-3-5(6)15-7/h1-4H,(H2,14,17).
What are the key properties of 4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-amine?
4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-amine has a molecular weight of 253.19 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-amine is sourced from PubChem (CID 1470942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).