cyclopentyl (7R)-7-(3-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C19H22N4O3 — CID 135659746

About cyclopentyl (7R)-7-(3-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

cyclopentyl (7R)-7-(3-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 135659746) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is cyclopentyl (7R)-7-(3-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: cyclopentyl (7R)-7-(3-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
• PubChem CID: 135659746
• Molecular Formula: C19H22N4O3
• Molecular Weight: 354.41 g/mol
• Exact Mass: 354.17
• IUPAC Name: cyclopentyl (7R)-7-(3-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
• SMILES: COc1cccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)Nc3ncnn32)c1
• InChI: InChI=1S/C19H22N4O3/c1-12-16(18(24)26-14-7-3-4-8-14)17(23-19(22-12)20-11-21-23)13-6-5-9-15(10-13)25-2/h5-6,9-11,14,17H,3-4,7-8H2,1-2H3,(H,20,21,22)/t17-/m1/s1
• InChIKey: LTRSYSRLTADSSY-QGZVFWFLSA-N
• XLogP: 3.06
• TPSA: 78.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.41
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of cyclopentyl (7R)-7-(3-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?

The IUPAC name of cyclopentyl (7R)-7-(3-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CID 135659746) is cyclopentyl (7R)-7-(3-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.

What is the SMILES notation for cyclopentyl (7R)-7-(3-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?

The canonical SMILES for cyclopentyl (7R)-7-(3-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is COc1cccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)Nc3ncnn32)c1.

What is the InChIKey of cyclopentyl (7R)-7-(3-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?

The InChIKey is LTRSYSRLTADSSY-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12-16(18(24)26-14-7-3-4-8-14)17(23-19(22-12)20-11-21-23)13-6-5-9-15(10-13)25-2/h5-6,9-11,14,17H,3-4,7-8H2,1-2H3,(H,20,21,22)/t17-/m1/s1.

What are the key properties of cyclopentyl (7R)-7-(3-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?

cyclopentyl (7R)-7-(3-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 354.41 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentyl (7R)-7-(3-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 135659746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).