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

C20H16ClN5O — CID 24830930

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

7-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine (PubChem CID 24830930) has the molecular formula C20H16ClN5O and a molecular weight of 377.84 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine.

Molecular Properties

• Compound Name: 7-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine
• PubChem CID: 24830930
• Molecular Formula: C20H16ClN5O
• Molecular Weight: 377.84 g/mol
• Exact Mass: 377.10
• IUPAC Name: 7-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine
• SMILES: COc1ccc(C2(c3nnc4nc(-c5ccc(Cl)cc5)cnn34)CC2)cc1
• InChI: InChI=1S/C20H16ClN5O/c1-27-16-8-4-14(5-9-16)20(10-11-20)18-24-25-19-23-17(12-22-26(18)19)13-2-6-15(21)7-3-13/h2-9,12H,10-11H2,1H3
• InChIKey: LBTMSXCSFBHIDH-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 65.20 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.84
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 7-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine (CID 24830930) is 7-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine.

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

The canonical SMILES for 7-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine is COc1ccc(C2(c3nnc4nc(-c5ccc(Cl)cc5)cnn34)CC2)cc1.

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

The InChIKey is LBTMSXCSFBHIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O/c1-27-16-8-4-14(5-9-16)20(10-11-20)18-24-25-19-23-17(12-22-26(18)19)13-2-6-15(21)7-3-13/h2-9,12H,10-11H2,1H3.

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

7-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine has a molecular weight of 377.84 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine is sourced from PubChem (CID 24830930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).