4-benzyl-2-(3-methoxyphenyl)-3,5-dioxo-N-(oxolan-2-ylmethyl)-1,2,4-triazine-6-carboxamide

C23H24N4O5 — CID 46005410

About 4-benzyl-2-(3-methoxyphenyl)-3,5-dioxo-N-(oxolan-2-ylmethyl)-1,2,4-triazine-6-carboxamide

4-benzyl-2-(3-methoxyphenyl)-3,5-dioxo-N-(oxolan-2-ylmethyl)-1,2,4-triazine-6-carboxamide (PubChem CID 46005410) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is 4-benzyl-2-(3-methoxyphenyl)-3,5-dioxo-N-(oxolan-2-ylmethyl)-1,2,4-triazine-6-carboxamide.

Molecular Properties

• Compound Name: 4-benzyl-2-(3-methoxyphenyl)-3,5-dioxo-N-(oxolan-2-ylmethyl)-1,2,4-triazine-6-carboxamide
• PubChem CID: 46005410
• Molecular Formula: C23H24N4O5
• Molecular Weight: 436.47 g/mol
• Exact Mass: 436.17
• IUPAC Name: 4-benzyl-2-(3-methoxyphenyl)-3,5-dioxo-N-(oxolan-2-ylmethyl)-1,2,4-triazine-6-carboxamide
• SMILES: COc1cccc(-n2nc(C(=O)NCC3CCCO3)c(=O)n(Cc3ccccc3)c2=O)c1
• InChI: InChI=1S/C23H24N4O5/c1-31-18-10-5-9-17(13-18)27-23(30)26(15-16-7-3-2-4-8-16)22(29)20(25-27)21(28)24-14-19-11-6-12-32-19/h2-5,7-10,13,19H,6,11-12,14-15H2,1H3,(H,24,28)
• InChIKey: HSANQPAHZWJRMU-UHFFFAOYSA-N
• XLogP: 1.36
• TPSA: 104.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.47
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(3-methoxyphenyl)-3,5-dioxo-N-(oxolan-2-ylmethyl)-1,2,4-triazine-6-carboxamide?

The IUPAC name of 4-benzyl-2-(3-methoxyphenyl)-3,5-dioxo-N-(oxolan-2-ylmethyl)-1,2,4-triazine-6-carboxamide (CID 46005410) is 4-benzyl-2-(3-methoxyphenyl)-3,5-dioxo-N-(oxolan-2-ylmethyl)-1,2,4-triazine-6-carboxamide.

What is the SMILES notation for 4-benzyl-2-(3-methoxyphenyl)-3,5-dioxo-N-(oxolan-2-ylmethyl)-1,2,4-triazine-6-carboxamide?

The canonical SMILES for 4-benzyl-2-(3-methoxyphenyl)-3,5-dioxo-N-(oxolan-2-ylmethyl)-1,2,4-triazine-6-carboxamide is COc1cccc(-n2nc(C(=O)NCC3CCCO3)c(=O)n(Cc3ccccc3)c2=O)c1.

What is the InChIKey of 4-benzyl-2-(3-methoxyphenyl)-3,5-dioxo-N-(oxolan-2-ylmethyl)-1,2,4-triazine-6-carboxamide?

The InChIKey is HSANQPAHZWJRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-31-18-10-5-9-17(13-18)27-23(30)26(15-16-7-3-2-4-8-16)22(29)20(25-27)21(28)24-14-19-11-6-12-32-19/h2-5,7-10,13,19H,6,11-12,14-15H2,1H3,(H,24,28).

What are the key properties of 4-benzyl-2-(3-methoxyphenyl)-3,5-dioxo-N-(oxolan-2-ylmethyl)-1,2,4-triazine-6-carboxamide?

4-benzyl-2-(3-methoxyphenyl)-3,5-dioxo-N-(oxolan-2-ylmethyl)-1,2,4-triazine-6-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-benzyl-2-(3-methoxyphenyl)-3,5-dioxo-N-(oxolan-2-ylmethyl)-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 46005410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).