[4-methyl-2-(trifluoromethyl)phenyl]-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

C18H15F3N6O — CID 66599506

IUPAC[4-methyl-2-(trifluoromethyl)phenyl]-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCc1ccc(C(=O)N2CCn3c(nnc3-c3cnccn3)C2)c(C(F)(F)F)c1
InChIInChI=1S/C18H15F3N6O/c1-11-2-3-12(13(8-11)18(19,20)21)17(28)26-6-7-27-15(10-26)24-25-16(27)14-9-22-4-5-23-14/h2-5,8-9H,6-7,10H2,1H3
InChIKeyNQYOBFVSWFKZBJ-UHFFFAOYSA-N
MW388.35 g/mol
LogP2.72
Rot. Bonds2

About [4-methyl-2-(trifluoromethyl)phenyl]-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

[4-methyl-2-(trifluoromethyl)phenyl]-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 66599506) has the molecular formula C18H15F3N6O and a molecular weight of 388.35 g/mol. Its IUPAC name is [4-methyl-2-(trifluoromethyl)phenyl]-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name[4-methyl-2-(trifluoromethyl)phenyl]-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
PubChem CID66599506
Molecular FormulaC18H15F3N6O
Molecular Weight388.35 g/mol
Exact Mass388.13
IUPAC Name[4-methyl-2-(trifluoromethyl)phenyl]-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCc1ccc(C(=O)N2CCn3c(nnc3-c3cnccn3)C2)c(C(F)(F)F)c1
InChIInChI=1S/C18H15F3N6O/c1-11-2-3-12(13(8-11)18(19,20)21)17(28)26-6-7-27-15(10-26)24-25-16(27)14-9-22-4-5-23-14/h2-5,8-9H,6-7,10H2,1H3
InChIKeyNQYOBFVSWFKZBJ-UHFFFAOYSA-N
XLogP2.72
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-methyl-2-(trifluoromethyl)phenyl]-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(trifluoromethyl)phenyl]-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The IUPAC name of [4-methyl-2-(trifluoromethyl)phenyl]-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 66599506) is [4-methyl-2-(trifluoromethyl)phenyl]-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.
What is the SMILES notation for [4-methyl-2-(trifluoromethyl)phenyl]-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The canonical SMILES for [4-methyl-2-(trifluoromethyl)phenyl]-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is Cc1ccc(C(=O)N2CCn3c(nnc3-c3cnccn3)C2)c(C(F)(F)F)c1.
What is the InChIKey of [4-methyl-2-(trifluoromethyl)phenyl]-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The InChIKey is NQYOBFVSWFKZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6O/c1-11-2-3-12(13(8-11)18(19,20)21)17(28)26-6-7-27-15(10-26)24-25-16(27)14-9-22-4-5-23-14/h2-5,8-9H,6-7,10H2,1H3.
What are the key properties of [4-methyl-2-(trifluoromethyl)phenyl]-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
[4-methyl-2-(trifluoromethyl)phenyl]-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 388.35 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(trifluoromethyl)phenyl]-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 66599506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).