6-(3,4-dichlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine;7-(3,4-dichlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine

C40H30Cl4N10O2 — CID 157299226

About 6-(3,4-dichlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine;7-(3,4-dichlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine

6-(3,4-dichlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine;7-(3,4-dichlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine (PubChem CID 157299226) has the molecular formula C40H30Cl4N10O2 and a molecular weight of 824.56 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine;7-(3,4-dichlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine.

Molecular Properties

• Compound Name: 6-(3,4-dichlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine;7-(3,4-dichlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine
• PubChem CID: 157299226
• Molecular Formula: C40H30Cl4N10O2
• Molecular Weight: 824.56 g/mol
• Exact Mass: 822.13
• IUPAC Name: 6-(3,4-dichlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine;7-(3,4-dichlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine
• SMILES: COc1ccc(C2(c3nnc4nc(-c5ccc(Cl)c(Cl)c5)cnn34)CC2)cc1.COc1ccc(C2(c3nnc4ncc(-c5ccc(Cl)c(Cl)c5)nn34)CC2)cc1
• InChI: InChI=1S/2C20H15Cl2N5O/c1-28-14-5-3-13(4-6-14)20(8-9-20)18-25-26-19-24-17(11-23-27(18)19)12-2-7-15(21)16(22)10-12;1-28-14-5-3-13(4-6-14)20(8-9-20)18-24-25-19-23-11-17(26-27(18)19)12-2-7-15(21)16(22)10-12/h2*2-7,10-11H,8-9H2,1H3
• InChIKey: BBRWFYJBSBHPIM-UHFFFAOYSA-N
• XLogP: 9.16
• TPSA: 130.40 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	824.56
LogP ≤ 5	9.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine;7-(3,4-dichlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine?

The IUPAC name of 6-(3,4-dichlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine;7-(3,4-dichlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine (CID 157299226) is 6-(3,4-dichlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine;7-(3,4-dichlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine.

What is the SMILES notation for 6-(3,4-dichlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine;7-(3,4-dichlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine?

The canonical SMILES for 6-(3,4-dichlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine;7-(3,4-dichlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine is COc1ccc(C2(c3nnc4nc(-c5ccc(Cl)c(Cl)c5)cnn34)CC2)cc1.COc1ccc(C2(c3nnc4ncc(-c5ccc(Cl)c(Cl)c5)nn34)CC2)cc1.

What is the InChIKey of 6-(3,4-dichlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine;7-(3,4-dichlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine?

The InChIKey is BBRWFYJBSBHPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H15Cl2N5O/c1-28-14-5-3-13(4-6-14)20(8-9-20)18-25-26-19-24-17(11-23-27(18)19)12-2-7-15(21)16(22)10-12;1-28-14-5-3-13(4-6-14)20(8-9-20)18-24-25-19-23-11-17(26-27(18)19)12-2-7-15(21)16(22)10-12/h2*2-7,10-11H,8-9H2,1H3.

What are the key properties of 6-(3,4-dichlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine;7-(3,4-dichlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine?

6-(3,4-dichlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine;7-(3,4-dichlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine has a molecular weight of 824.56 g/mol, XLogP of 9.16, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,4-dichlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine;7-(3,4-dichlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine is sourced from PubChem (CID 157299226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).