6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;N-[[3-(1-benzyl-4-methylpyrrolidin-3-yl)-5-oxo-4H-1,2,4-triazin-6-yl]methyl]-2-ethylbutanamide;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-ethylbutanoic acid

C66H93N15O6 — CID 157359838

About 6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;N-[[3-(1-benzyl-4-methylpyrrolidin-3-yl)-5-oxo-4H-1,2,4-triazin-6-yl]methyl]-2-ethylbutanamide;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-ethylbutanoic acid

6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;N-[[3-(1-benzyl-4-methylpyrrolidin-3-yl)-5-oxo-4H-1,2,4-triazin-6-yl]methyl]-2-ethylbutanamide;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-ethylbutanoic acid (PubChem CID 157359838) has the molecular formula C66H93N15O6 and a molecular weight of 1192.57 g/mol. Its IUPAC name is 6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;N-[[3-(1-benzyl-4-methylpyrrolidin-3-yl)-5-oxo-4H-1,2,4-triazin-6-yl]methyl]-2-ethylbutanamide;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-ethylbutanoic acid.

Molecular Properties

• Compound Name: 6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;N-[[3-(1-benzyl-4-methylpyrrolidin-3-yl)-5-oxo-4H-1,2,4-triazin-6-yl]methyl]-2-ethylbutanamide;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-ethylbutanoic acid
• PubChem CID: 157359838
• Molecular Formula: C66H93N15O6
• Molecular Weight: 1192.57 g/mol
• Exact Mass: 1191.74
• IUPAC Name: 6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;N-[[3-(1-benzyl-4-methylpyrrolidin-3-yl)-5-oxo-4H-1,2,4-triazin-6-yl]methyl]-2-ethylbutanamide;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-ethylbutanoic acid
• SMILES: CC1CN(Cc2ccccc2)CC1c1nnc(CN)c(=O)[nH]1.CCC(CC)C(=O)NCc1nnc(C2CN(Cc3ccccc3)CC2C)[nH]c1=O.CCC(CC)C(=O)O.CCC(CC)c1ncc2c(=O)[nH]c(C3CN(Cc4ccccc4)CC3C)nn12
• InChI: InChI=1S/C22H31N5O2.C22H29N5O.C16H21N5O.C6H12O2/c1-4-17(5-2)21(28)23-11-19-22(29)24-20(26-25-19)18-14-27(12-15(18)3)13-16-9-7-6-8-10-16;1-4-17(5-2)21-23-11-19-22(28)24-20(25-27(19)21)18-14-26(12-15(18)3)13-16-9-7-6-8-10-16;1-11-8-21(9-12-5-3-2-4-6-12)10-13(11)15-18-16(22)14(7-17)19-20-15;1-3-5(4-2)6(7)8/h6-10,15,17-18H,4-5,11-14H2,1-3H3,(H,23,28)(H,24,26,29);6-11,15,17-18H,4-5,12-14H2,1-3H3,(H,24,25,28);2-6,11,13H,7-10,17H2,1H3,(H,18,20,22);5H,3-4H2,1-2H3,(H,7,8)
• InChIKey: BIMVEILSYJPBCL-UHFFFAOYSA-N
• XLogP: 8.38
• TPSA: 282.47 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 21
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1192.57
LogP ≤ 5	8.38
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;N-[[3-(1-benzyl-4-methylpyrrolidin-3-yl)-5-oxo-4H-1,2,4-triazin-6-yl]methyl]-2-ethylbutanamide;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-ethylbutanoic acid?

The IUPAC name of 6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;N-[[3-(1-benzyl-4-methylpyrrolidin-3-yl)-5-oxo-4H-1,2,4-triazin-6-yl]methyl]-2-ethylbutanamide;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-ethylbutanoic acid (CID 157359838) is 6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;N-[[3-(1-benzyl-4-methylpyrrolidin-3-yl)-5-oxo-4H-1,2,4-triazin-6-yl]methyl]-2-ethylbutanamide;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-ethylbutanoic acid.

What is the SMILES notation for 6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;N-[[3-(1-benzyl-4-methylpyrrolidin-3-yl)-5-oxo-4H-1,2,4-triazin-6-yl]methyl]-2-ethylbutanamide;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-ethylbutanoic acid?

The canonical SMILES for 6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;N-[[3-(1-benzyl-4-methylpyrrolidin-3-yl)-5-oxo-4H-1,2,4-triazin-6-yl]methyl]-2-ethylbutanamide;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-ethylbutanoic acid is CC1CN(Cc2ccccc2)CC1c1nnc(CN)c(=O)[nH]1.CCC(CC)C(=O)NCc1nnc(C2CN(Cc3ccccc3)CC2C)[nH]c1=O.CCC(CC)C(=O)O.CCC(CC)c1ncc2c(=O)[nH]c(C3CN(Cc4ccccc4)CC3C)nn12.

What is the InChIKey of 6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;N-[[3-(1-benzyl-4-methylpyrrolidin-3-yl)-5-oxo-4H-1,2,4-triazin-6-yl]methyl]-2-ethylbutanamide;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-ethylbutanoic acid?

The InChIKey is BIMVEILSYJPBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2.C22H29N5O.C16H21N5O.C6H12O2/c1-4-17(5-2)21(28)23-11-19-22(29)24-20(26-25-19)18-14-27(12-15(18)3)13-16-9-7-6-8-10-16;1-4-17(5-2)21-23-11-19-22(28)24-20(25-27(19)21)18-14-26(12-15(18)3)13-16-9-7-6-8-10-16;1-11-8-21(9-12-5-3-2-4-6-12)10-13(11)15-18-16(22)14(7-17)19-20-15;1-3-5(4-2)6(7)8/h6-10,15,17-18H,4-5,11-14H2,1-3H3,(H,23,28)(H,24,26,29);6-11,15,17-18H,4-5,12-14H2,1-3H3,(H,24,25,28);2-6,11,13H,7-10,17H2,1H3,(H,18,20,22);5H,3-4H2,1-2H3,(H,7,8).

What are the key properties of 6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;N-[[3-(1-benzyl-4-methylpyrrolidin-3-yl)-5-oxo-4H-1,2,4-triazin-6-yl]methyl]-2-ethylbutanamide;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-ethylbutanoic acid?

6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;N-[[3-(1-benzyl-4-methylpyrrolidin-3-yl)-5-oxo-4H-1,2,4-triazin-6-yl]methyl]-2-ethylbutanamide;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-ethylbutanoic acid has a molecular weight of 1192.57 g/mol, XLogP of 8.38, 21 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;N-[[3-(1-benzyl-4-methylpyrrolidin-3-yl)-5-oxo-4H-1,2,4-triazin-6-yl]methyl]-2-ethylbutanamide;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-ethylbutanoic acid is sourced from PubChem (CID 157359838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).