2-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-N-propyl-1,2,4-triazine-6-carboxamide

C22H24N4O5 — CID 46005441

About 2-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-N-propyl-1,2,4-triazine-6-carboxamide

2-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-N-propyl-1,2,4-triazine-6-carboxamide (PubChem CID 46005441) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-N-propyl-1,2,4-triazine-6-carboxamide.

Molecular Properties

• Compound Name: 2-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-N-propyl-1,2,4-triazine-6-carboxamide
• PubChem CID: 46005441
• Molecular Formula: C22H24N4O5
• Molecular Weight: 424.46 g/mol
• Exact Mass: 424.17
• IUPAC Name: 2-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-N-propyl-1,2,4-triazine-6-carboxamide
• SMILES: CCCNC(=O)c1nn(-c2cccc(OC)c2)c(=O)n(Cc2cccc(OC)c2)c1=O
• InChI: InChI=1S/C22H24N4O5/c1-4-11-23-20(27)19-21(28)25(14-15-7-5-9-17(12-15)30-2)22(29)26(24-19)16-8-6-10-18(13-16)31-3/h5-10,12-13H,4,11,14H2,1-3H3,(H,23,27)
• InChIKey: NTJZBCQFVDGBKZ-UHFFFAOYSA-N
• XLogP: 1.60
• TPSA: 104.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.46
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-N-propyl-1,2,4-triazine-6-carboxamide?

The IUPAC name of 2-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-N-propyl-1,2,4-triazine-6-carboxamide (CID 46005441) is 2-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-N-propyl-1,2,4-triazine-6-carboxamide.

What is the SMILES notation for 2-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-N-propyl-1,2,4-triazine-6-carboxamide?

The canonical SMILES for 2-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-N-propyl-1,2,4-triazine-6-carboxamide is CCCNC(=O)c1nn(-c2cccc(OC)c2)c(=O)n(Cc2cccc(OC)c2)c1=O.

What is the InChIKey of 2-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-N-propyl-1,2,4-triazine-6-carboxamide?

The InChIKey is NTJZBCQFVDGBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-4-11-23-20(27)19-21(28)25(14-15-7-5-9-17(12-15)30-2)22(29)26(24-19)16-8-6-10-18(13-16)31-3/h5-10,12-13H,4,11,14H2,1-3H3,(H,23,27).

What are the key properties of 2-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-N-propyl-1,2,4-triazine-6-carboxamide?

2-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-N-propyl-1,2,4-triazine-6-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-N-propyl-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 46005441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).