7-[3-(4-chlorophenoxy)phenyl]-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

C24H19ClN4O2 — CID 3990525

About 7-[3-(4-chlorophenoxy)phenyl]-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

7-[3-(4-chlorophenoxy)phenyl]-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 3990525) has the molecular formula C24H19ClN4O2 and a molecular weight of 430.90 g/mol. Its IUPAC name is 7-[3-(4-chlorophenoxy)phenyl]-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: 7-[3-(4-chlorophenoxy)phenyl]-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
• PubChem CID: 3990525
• Molecular Formula: C24H19ClN4O2
• Molecular Weight: 430.90 g/mol
• Exact Mass: 430.12
• IUPAC Name: 7-[3-(4-chlorophenoxy)phenyl]-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
• SMILES: COc1ccc(C2=CC(c3cccc(Oc4ccc(Cl)cc4)c3)n3ncnc3N2)cc1
• InChI: InChI=1S/C24H19ClN4O2/c1-30-19-9-5-16(6-10-19)22-14-23(29-24(28-22)26-15-27-29)17-3-2-4-21(13-17)31-20-11-7-18(25)8-12-20/h2-15,23H,1H3,(H,26,27,28)
• InChIKey: IOSFYIIKCHBODJ-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 61.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.90
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-chlorophenoxy)phenyl]-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?

The IUPAC name of 7-[3-(4-chlorophenoxy)phenyl]-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 3990525) is 7-[3-(4-chlorophenoxy)phenyl]-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

What is the SMILES notation for 7-[3-(4-chlorophenoxy)phenyl]-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?

The canonical SMILES for 7-[3-(4-chlorophenoxy)phenyl]-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is COc1ccc(C2=CC(c3cccc(Oc4ccc(Cl)cc4)c3)n3ncnc3N2)cc1.

What is the InChIKey of 7-[3-(4-chlorophenoxy)phenyl]-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?

The InChIKey is IOSFYIIKCHBODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O2/c1-30-19-9-5-16(6-10-19)22-14-23(29-24(28-22)26-15-27-29)17-3-2-4-21(13-17)31-20-11-7-18(25)8-12-20/h2-15,23H,1H3,(H,26,27,28).

What are the key properties of 7-[3-(4-chlorophenoxy)phenyl]-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?

7-[3-(4-chlorophenoxy)phenyl]-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 430.90 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-(4-chlorophenoxy)phenyl]-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3990525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).