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

C19H23N5O2 — CID 136902276

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

[(7S)-7-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone (PubChem CID 136902276) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is [(7S)-7-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: [(7S)-7-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone
• PubChem CID: 136902276
• Molecular Formula: C19H23N5O2
• Molecular Weight: 353.43 g/mol
• Exact Mass: 353.19
• IUPAC Name: [(7S)-7-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone
• SMILES: COc1ccccc1[C@H]1C(C(=O)N2CCCCC2)=C(C)Nc2ncnn21
• InChI: InChI=1S/C19H23N5O2/c1-13-16(18(25)23-10-6-3-7-11-23)17(24-19(22-13)20-12-21-24)14-8-4-5-9-15(14)26-2/h4-5,8-9,12,17H,3,6-7,10-11H2,1-2H3,(H,20,21,22)/t17-/m0/s1
• InChIKey: CIHHUWJJLUOWTL-KRWDZBQOSA-N
• XLogP: 2.59
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.43
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [(7S)-7-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone (CID 136902276) is [(7S)-7-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone.

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

The canonical SMILES for [(7S)-7-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone is COc1ccccc1[C@H]1C(C(=O)N2CCCCC2)=C(C)Nc2ncnn21.

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

The InChIKey is CIHHUWJJLUOWTL-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-16(18(25)23-10-6-3-7-11-23)17(24-19(22-13)20-12-21-24)14-8-4-5-9-15(14)26-2/h4-5,8-9,12,17H,3,6-7,10-11H2,1-2H3,(H,20,21,22)/t17-/m0/s1.

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

[(7S)-7-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone has a molecular weight of 353.43 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(7S)-7-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 136902276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).