N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide

C20H20N4O3 — CID 136516476

About N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide

N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide (PubChem CID 136516476) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
• PubChem CID: 136516476
• Molecular Formula: C20H20N4O3
• Molecular Weight: 364.41 g/mol
• Exact Mass: 364.15
• IUPAC Name: N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
• SMILES: CC1N=C(C(=O)NC2c3ccccc3CC2O)NN(c2ccccc2)C1=O
• InChI: InChI=1S/C20H20N4O3/c1-12-20(27)24(14-8-3-2-4-9-14)23-18(21-12)19(26)22-17-15-10-6-5-7-13(15)11-16(17)25/h2-10,12,16-17,25H,11H2,1H3,(H,21,23)(H,22,26)
• InChIKey: JDQAYPTUNNDMBI-UHFFFAOYSA-N
• XLogP: 1.10
• TPSA: 94.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.41
LogP ≤ 5	1.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide (CID 136516476) is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide.

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

The canonical SMILES for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide is CC1N=C(C(=O)NC2c3ccccc3CC2O)NN(c2ccccc2)C1=O.

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

The InChIKey is JDQAYPTUNNDMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-12-20(27)24(14-8-3-2-4-9-14)23-18(21-12)19(26)22-17-15-10-6-5-7-13(15)11-16(17)25/h2-10,12,16-17,25H,11H2,1H3,(H,21,23)(H,22,26).

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

N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide is sourced from PubChem (CID 136516476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).