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

C18H15F3N4O2 — CID 86274593

IUPAC[(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3,4-trifluorophenyl)methanone
SMILESCc1ccc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2F)[C@@H]3C)o1
InChIInChI=1S/C18H15F3N4O2/c1-9-3-6-13(27-9)17-23-22-16-10(2)24(7-8-25(16)17)18(26)11-4-5-12(19)15(21)14(11)20/h3-6,10H,7-8H2,1-2H3/t10-/m1/s1
InChIKeyJGNKOQCRHUJLFY-SNVBAGLBSA-N
MW376.34 g/mol
LogP3.48
Rot. Bonds2

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

[(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3,4-trifluorophenyl)methanone (PubChem CID 86274593) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is [(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name[(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3,4-trifluorophenyl)methanone
PubChem CID86274593
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC Name[(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3,4-trifluorophenyl)methanone
SMILESCc1ccc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2F)[C@@H]3C)o1
InChIInChI=1S/C18H15F3N4O2/c1-9-3-6-13(27-9)17-23-22-16-10(2)24(7-8-25(16)17)18(26)11-4-5-12(19)15(21)14(11)20/h3-6,10H,7-8H2,1-2H3/t10-/m1/s1
InChIKeyJGNKOQCRHUJLFY-SNVBAGLBSA-N
XLogP3.48
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of [(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3,4-trifluorophenyl)methanone (CID 86274593) is [(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for [(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for [(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3,4-trifluorophenyl)methanone is Cc1ccc(-c2nnc3n2CCN(C(=O)c2ccc(F)c(F)c2F)[C@@H]3C)o1.
What is the InChIKey of [(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3,4-trifluorophenyl)methanone?
The InChIKey is JGNKOQCRHUJLFY-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-9-3-6-13(27-9)17-23-22-16-10(2)24(7-8-25(16)17)18(26)11-4-5-12(19)15(21)14(11)20/h3-6,10H,7-8H2,1-2H3/t10-/m1/s1.
What are the key properties of [(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3,4-trifluorophenyl)methanone?
[(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3,4-trifluorophenyl)methanone has a molecular weight of 376.34 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 86274593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).