3-[7-(3,4-dimethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-phenylpropanamide

C22H21N5O4 — CID 46341308

About 3-[7-(3,4-dimethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-phenylpropanamide

3-[7-(3,4-dimethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-phenylpropanamide (PubChem CID 46341308) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is 3-[7-(3,4-dimethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-phenylpropanamide.

Molecular Properties

• Compound Name: 3-[7-(3,4-dimethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-phenylpropanamide
• PubChem CID: 46341308
• Molecular Formula: C22H21N5O4
• Molecular Weight: 419.44 g/mol
• Exact Mass: 419.16
• IUPAC Name: 3-[7-(3,4-dimethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-phenylpropanamide
• SMILES: COc1ccc(-n2ccn3c(CCC(=O)Nc4ccccc4)nnc3c2=O)cc1OC
• InChI: InChI=1S/C22H21N5O4/c1-30-17-9-8-16(14-18(17)31-2)26-12-13-27-19(24-25-21(27)22(26)29)10-11-20(28)23-15-6-4-3-5-7-15/h3-9,12-14H,10-11H2,1-2H3,(H,23,28)
• InChIKey: MQQLWOZAKNSJSC-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 99.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.44
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[7-(3,4-dimethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-phenylpropanamide?

The IUPAC name of 3-[7-(3,4-dimethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-phenylpropanamide (CID 46341308) is 3-[7-(3,4-dimethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-phenylpropanamide.

What is the SMILES notation for 3-[7-(3,4-dimethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-phenylpropanamide?

The canonical SMILES for 3-[7-(3,4-dimethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-phenylpropanamide is COc1ccc(-n2ccn3c(CCC(=O)Nc4ccccc4)nnc3c2=O)cc1OC.

What is the InChIKey of 3-[7-(3,4-dimethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-phenylpropanamide?

The InChIKey is MQQLWOZAKNSJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4/c1-30-17-9-8-16(14-18(17)31-2)26-12-13-27-19(24-25-21(27)22(26)29)10-11-20(28)23-15-6-4-3-5-7-15/h3-9,12-14H,10-11H2,1-2H3,(H,23,28).

What are the key properties of 3-[7-(3,4-dimethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-phenylpropanamide?

3-[7-(3,4-dimethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-phenylpropanamide has a molecular weight of 419.44 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-(3,4-dimethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-phenylpropanamide is sourced from PubChem (CID 46341308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).