[7-(2-fluorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone

C18H20FN5O — CID 5113054

About [7-(2-fluorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone

[7-(2-fluorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone (PubChem CID 5113054) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is [7-(2-fluorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: [7-(2-fluorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone
• PubChem CID: 5113054
• Molecular Formula: C18H20FN5O
• Molecular Weight: 341.39 g/mol
• Exact Mass: 341.17
• IUPAC Name: [7-(2-fluorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone
• SMILES: CC1=C(C(=O)N2CCCCC2)C(c2ccccc2F)n2ncnc2N1
• InChI: InChI=1S/C18H20FN5O/c1-12-15(17(25)23-9-5-2-6-10-23)16(13-7-3-4-8-14(13)19)24-18(22-12)20-11-21-24/h3-4,7-8,11,16H,2,5-6,9-10H2,1H3,(H,20,21,22)
• InChIKey: YJMHYDQZXLKNEB-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.39
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [7-(2-fluorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone?

The IUPAC name of [7-(2-fluorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone (CID 5113054) is [7-(2-fluorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone.

What is the SMILES notation for [7-(2-fluorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone?

The canonical SMILES for [7-(2-fluorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone is CC1=C(C(=O)N2CCCCC2)C(c2ccccc2F)n2ncnc2N1.

What is the InChIKey of [7-(2-fluorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone?

The InChIKey is YJMHYDQZXLKNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-12-15(17(25)23-9-5-2-6-10-23)16(13-7-3-4-8-14(13)19)24-18(22-12)20-11-21-24/h3-4,7-8,11,16H,2,5-6,9-10H2,1H3,(H,20,21,22).

What are the key properties of [7-(2-fluorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone?

[7-(2-fluorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone has a molecular weight of 341.39 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [7-(2-fluorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 5113054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).