5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

C19H15ClF2N4O2 — CID 4175247

About 5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 4175247) has the molecular formula C19H15ClF2N4O2 and a molecular weight of 404.80 g/mol. Its IUPAC name is 5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: 5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
• PubChem CID: 4175247
• Molecular Formula: C19H15ClF2N4O2
• Molecular Weight: 404.80 g/mol
• Exact Mass: 404.09
• IUPAC Name: 5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
• SMILES: COc1ccc(C2C=C(c3ccc(Cl)cc3OC(F)F)Nc3ncnn32)cc1
• InChI: InChI=1S/C19H15ClF2N4O2/c1-27-13-5-2-11(3-6-13)16-9-15(25-19-23-10-24-26(16)19)14-7-4-12(20)8-17(14)28-18(21)22/h2-10,16,18H,1H3,(H,23,24,25)
• InChIKey: GJQOGERLYQJKDI-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 61.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.80
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?

The IUPAC name of 5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 4175247) is 5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

What is the SMILES notation for 5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?

The canonical SMILES for 5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is COc1ccc(C2C=C(c3ccc(Cl)cc3OC(F)F)Nc3ncnn32)cc1.

What is the InChIKey of 5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?

The InChIKey is GJQOGERLYQJKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N4O2/c1-27-13-5-2-11(3-6-13)16-9-15(25-19-23-10-24-26(16)19)14-7-4-12(20)8-17(14)28-18(21)22/h2-10,16,18H,1H3,(H,23,24,25).

What are the key properties of 5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?

5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 404.80 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4175247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).