5-methyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide

C21H21N5O3 — CID 43072459

About 5-methyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide

5-methyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide (PubChem CID 43072459) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 5-methyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
• PubChem CID: 43072459
• Molecular Formula: C21H21N5O3
• Molecular Weight: 391.43 g/mol
• Exact Mass: 391.16
• IUPAC Name: 5-methyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
• SMILES: CC1N=C(C(=O)Nc2cccc(N3CCCC3=O)c2)NN(c2ccccc2)C1=O
• InChI: InChI=1S/C21H21N5O3/c1-14-21(29)26(16-8-3-2-4-9-16)24-19(22-14)20(28)23-15-7-5-10-17(13-15)25-12-6-11-18(25)27/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,22,24)(H,23,28)
• InChIKey: QPQQDBHHAQHIFG-UHFFFAOYSA-N
• XLogP: 2.09
• TPSA: 94.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.43
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?

The IUPAC name of 5-methyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide (CID 43072459) is 5-methyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide.

What is the SMILES notation for 5-methyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?

The canonical SMILES for 5-methyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide is CC1N=C(C(=O)Nc2cccc(N3CCCC3=O)c2)NN(c2ccccc2)C1=O.

What is the InChIKey of 5-methyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?

The InChIKey is QPQQDBHHAQHIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-14-21(29)26(16-8-3-2-4-9-16)24-19(22-14)20(28)23-15-7-5-10-17(13-15)25-12-6-11-18(25)27/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,22,24)(H,23,28).

What are the key properties of 5-methyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?

5-methyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide is sourced from PubChem (CID 43072459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).