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

C18H19FN6O2 — CID 122187067

IUPAC(4-fluorophenyl)-[(8R)-8-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCC(C)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1
InChIInChI=1S/C18H19FN6O2/c1-10(2)14-20-17(27-23-14)16-22-21-15-11(3)24(8-9-25(15)16)18(26)12-4-6-13(19)7-5-12/h4-7,10-11H,8-9H2,1-3H3/t11-/m1/s1
InChIKeyVCDLSNHPAIHNNG-LLVKDONJSA-N
MW370.39 g/mol
LogP2.81
Rot. Bonds3

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

(4-fluorophenyl)-[(8R)-8-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 122187067) has the molecular formula C18H19FN6O2 and a molecular weight of 370.39 g/mol. Its IUPAC name is (4-fluorophenyl)-[(8R)-8-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(8R)-8-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID122187067
Molecular FormulaC18H19FN6O2
Molecular Weight370.39 g/mol
Exact Mass370.16
IUPAC Name(4-fluorophenyl)-[(8R)-8-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCC(C)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1
InChIInChI=1S/C18H19FN6O2/c1-10(2)14-20-17(27-23-14)16-22-21-15-11(3)24(8-9-25(15)16)18(26)12-4-6-13(19)7-5-12/h4-7,10-11H,8-9H2,1-3H3/t11-/m1/s1
InChIKeyVCDLSNHPAIHNNG-LLVKDONJSA-N
XLogP2.81
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(8R)-8-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(8R)-8-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 122187067) is (4-fluorophenyl)-[(8R)-8-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(8R)-8-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(8R)-8-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is CC(C)c1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1.
What is the InChIKey of (4-fluorophenyl)-[(8R)-8-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is VCDLSNHPAIHNNG-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19FN6O2/c1-10(2)14-20-17(27-23-14)16-22-21-15-11(3)24(8-9-25(15)16)18(26)12-4-6-13(19)7-5-12/h4-7,10-11H,8-9H2,1-3H3/t11-/m1/s1.
What are the key properties of (4-fluorophenyl)-[(8R)-8-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(4-fluorophenyl)-[(8R)-8-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 370.39 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(8R)-8-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 122187067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).