1-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]quinoxalin-4-amine

C17H12F3N5 — CID 4657224

IUPAC1-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]quinoxalin-4-amine
SMILESCc1ncc2c(Nc3ccc(C(F)(F)F)nc3)nc3ccccc3n12
InChIInChI=1S/C17H12F3N5/c1-10-21-9-14-16(24-12-4-2-3-5-13(12)25(10)14)23-11-6-7-15(22-8-11)17(18,19)20/h2-9H,1H3,(H,23,24)
InChIKeyMWLJLTWHYNDVFX-UHFFFAOYSA-N
MW343.31 g/mol
LogP4.35
Rot. Bonds2

About 1-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]quinoxalin-4-amine

1-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]quinoxalin-4-amine (PubChem CID 4657224) has the molecular formula C17H12F3N5 and a molecular weight of 343.31 g/mol. Its IUPAC name is 1-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]quinoxalin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]quinoxalin-4-amine
PubChem CID4657224
Molecular FormulaC17H12F3N5
Molecular Weight343.31 g/mol
Exact Mass343.10
IUPAC Name1-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]quinoxalin-4-amine
SMILESCc1ncc2c(Nc3ccc(C(F)(F)F)nc3)nc3ccccc3n12
InChIInChI=1S/C17H12F3N5/c1-10-21-9-14-16(24-12-4-2-3-5-13(12)25(10)14)23-11-6-7-15(22-8-11)17(18,19)20/h2-9H,1H3,(H,23,24)
InChIKeyMWLJLTWHYNDVFX-UHFFFAOYSA-N
XLogP4.35
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]quinoxalin-4-amine?
The IUPAC name of 1-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]quinoxalin-4-amine (CID 4657224) is 1-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]quinoxalin-4-amine.
What is the SMILES notation for 1-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]quinoxalin-4-amine?
The canonical SMILES for 1-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]quinoxalin-4-amine is Cc1ncc2c(Nc3ccc(C(F)(F)F)nc3)nc3ccccc3n12.
What is the InChIKey of 1-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]quinoxalin-4-amine?
The InChIKey is MWLJLTWHYNDVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5/c1-10-21-9-14-16(24-12-4-2-3-5-13(12)25(10)14)23-11-6-7-15(22-8-11)17(18,19)20/h2-9H,1H3,(H,23,24).
What are the key properties of 1-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]quinoxalin-4-amine?
1-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]quinoxalin-4-amine has a molecular weight of 343.31 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]quinoxalin-4-amine is sourced from PubChem (CID 4657224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).