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

C₁₇H₁₇FN₆O₂S — CID 86275212

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

(4-fluoro-3-methoxyphenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 86275212) has the molecular formula C₁₇H₁₇FN₆O₂S and a molecular weight of 388.43 g/mol. Its IUPAC name is (4-fluoro-3-methoxyphenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

• Compound Name: (4-fluoro-3-methoxyphenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
• PubChem CID: 86275212
• Molecular Formula: C₁₇H₁₇FN₆O₂S
• Molecular Weight: 388.43 g/mol
• Exact Mass: 388.11
• IUPAC Name: (4-fluoro-3-methoxyphenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
• SMILES: COc1cc(C(=O)N2CCn3c(-c4nc(C)ns4)nnc3[C@H]2C)ccc1F
• InChI: InChI=1S/C17H17FN6O2S/c1-9-14-20-21-15(16-19-10(2)22-27-16)24(14)7-6-23(9)17(25)11-4-5-12(18)13(8-11)26-3/h4-5,8-9H,6-7H2,1-3H3/t9-/m1/s1
• InChIKey: DQMSMVVVIQFBKB-SECBINFHSA-N
• XLogP: 2.47
• TPSA: 86.03 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.43
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methoxyphenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?

The IUPAC name of (4-fluoro-3-methoxyphenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 86275212) is (4-fluoro-3-methoxyphenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

What is the SMILES notation for (4-fluoro-3-methoxyphenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?

The canonical SMILES for (4-fluoro-3-methoxyphenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is COc1cc(C(=O)N2CCn3c(-c4nc(C)ns4)nnc3[C@H]2C)ccc1F.

What is the InChIKey of (4-fluoro-3-methoxyphenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?

The InChIKey is DQMSMVVVIQFBKB-SECBINFHSA-N. The full InChI is InChI=1S/C17H17FN6O2S/c1-9-14-20-21-15(16-19-10(2)22-27-16)24(14)7-6-23(9)17(25)11-4-5-12(18)13(8-11)26-3/h4-5,8-9H,6-7H2,1-3H3/t9-/m1/s1.

What are the key properties of (4-fluoro-3-methoxyphenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?

(4-fluoro-3-methoxyphenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 388.43 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4-fluoro-3-methoxyphenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 86275212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 86275212 — identifiers, structure, computed properties (public domain)

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