6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;N-[[3-(1-benzyl-4-methylpyrrolidin-3-yl)-5-oxo-4H-1,2,4-triazin-6-yl]methyl]oxane-4-carboxamide;(2,5-dioxopyrrolidin-1-yl) oxane-4-carboxylate;methane

C71H94N16O11 — CID 158329160

About 6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;N-[[3-(1-benzyl-4-methylpyrrolidin-3-yl)-5-oxo-4H-1,2,4-triazin-6-yl]methyl]oxane-4-carboxamide;(2,5-dioxopyrrolidin-1-yl) oxane-4-carboxylate;methane

6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;N-[[3-(1-benzyl-4-methylpyrrolidin-3-yl)-5-oxo-4H-1,2,4-triazin-6-yl]methyl]oxane-4-carboxamide;(2,5-dioxopyrrolidin-1-yl) oxane-4-carboxylate;methane (PubChem CID 158329160) has the molecular formula C71H94N16O11 and a molecular weight of 1347.63 g/mol. Its IUPAC name is 6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;N-[[3-(1-benzyl-4-methylpyrrolidin-3-yl)-5-oxo-4H-1,2,4-triazin-6-yl]methyl]oxane-4-carboxamide;(2,5-dioxopyrrolidin-1-yl) oxane-4-carboxylate;methane.

Molecular Properties

• Compound Name: 6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;N-[[3-(1-benzyl-4-methylpyrrolidin-3-yl)-5-oxo-4H-1,2,4-triazin-6-yl]methyl]oxane-4-carboxamide;(2,5-dioxopyrrolidin-1-yl) oxane-4-carboxylate;methane
• PubChem CID: 158329160
• Molecular Formula: C71H94N16O11
• Molecular Weight: 1347.63 g/mol
• Exact Mass: 1346.73
• IUPAC Name: 6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;N-[[3-(1-benzyl-4-methylpyrrolidin-3-yl)-5-oxo-4H-1,2,4-triazin-6-yl]methyl]oxane-4-carboxamide;(2,5-dioxopyrrolidin-1-yl) oxane-4-carboxylate;methane
• SMILES: C.CC1CN(Cc2ccccc2)CC1c1nn2c(C3CCOCC3)ncc2c(=O)[nH]1.CC1CN(Cc2ccccc2)CC1c1nnc(CN)c(=O)[nH]1.CC1CN(Cc2ccccc2)CC1c1nnc(CNC(=O)C2CCOCC2)c(=O)[nH]1.O=C(ON1C(=O)CCC1=O)C1CCOCC1
• InChI: InChI=1S/C22H29N5O3.C22H27N5O2.C16H21N5O.C10H13NO5.CH4/c1-15-12-27(13-16-5-3-2-4-6-16)14-18(15)20-24-22(29)19(25-26-20)11-23-21(28)17-7-9-30-10-8-17;1-15-12-26(13-16-5-3-2-4-6-16)14-18(15)20-24-22(28)19-11-23-21(27(19)25-20)17-7-9-29-10-8-17;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;12-8-1-2-9(13)11(8)16-10(14)7-3-5-15-6-4-7;/h2-6,15,17-18H,7-14H2,1H3,(H,23,28)(H,24,26,29);2-6,11,15,17-18H,7-10,12-14H2,1H3,(H,24,25,28);2-6,11,13H,7-10,17H2,1H3,(H,18,20,22);7H,1-6H2;1H4
• InChIKey: GPUGYOLKGFSUEZ-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 336.54 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1347.63
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;N-[[3-(1-benzyl-4-methylpyrrolidin-3-yl)-5-oxo-4H-1,2,4-triazin-6-yl]methyl]oxane-4-carboxamide;(2,5-dioxopyrrolidin-1-yl) oxane-4-carboxylate;methane?

The IUPAC name of 6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;N-[[3-(1-benzyl-4-methylpyrrolidin-3-yl)-5-oxo-4H-1,2,4-triazin-6-yl]methyl]oxane-4-carboxamide;(2,5-dioxopyrrolidin-1-yl) oxane-4-carboxylate;methane (CID 158329160) is 6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;N-[[3-(1-benzyl-4-methylpyrrolidin-3-yl)-5-oxo-4H-1,2,4-triazin-6-yl]methyl]oxane-4-carboxamide;(2,5-dioxopyrrolidin-1-yl) oxane-4-carboxylate;methane.

What is the SMILES notation for 6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;N-[[3-(1-benzyl-4-methylpyrrolidin-3-yl)-5-oxo-4H-1,2,4-triazin-6-yl]methyl]oxane-4-carboxamide;(2,5-dioxopyrrolidin-1-yl) oxane-4-carboxylate;methane?

The canonical SMILES for 6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;N-[[3-(1-benzyl-4-methylpyrrolidin-3-yl)-5-oxo-4H-1,2,4-triazin-6-yl]methyl]oxane-4-carboxamide;(2,5-dioxopyrrolidin-1-yl) oxane-4-carboxylate;methane is C.CC1CN(Cc2ccccc2)CC1c1nn2c(C3CCOCC3)ncc2c(=O)[nH]1.CC1CN(Cc2ccccc2)CC1c1nnc(CN)c(=O)[nH]1.CC1CN(Cc2ccccc2)CC1c1nnc(CNC(=O)C2CCOCC2)c(=O)[nH]1.O=C(ON1C(=O)CCC1=O)C1CCOCC1.

What is the InChIKey of 6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;N-[[3-(1-benzyl-4-methylpyrrolidin-3-yl)-5-oxo-4H-1,2,4-triazin-6-yl]methyl]oxane-4-carboxamide;(2,5-dioxopyrrolidin-1-yl) oxane-4-carboxylate;methane?

The InChIKey is GPUGYOLKGFSUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3.C22H27N5O2.C16H21N5O.C10H13NO5.CH4/c1-15-12-27(13-16-5-3-2-4-6-16)14-18(15)20-24-22(29)19(25-26-20)11-23-21(28)17-7-9-30-10-8-17;1-15-12-26(13-16-5-3-2-4-6-16)14-18(15)20-24-22(28)19-11-23-21(27(19)25-20)17-7-9-29-10-8-17;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;12-8-1-2-9(13)11(8)16-10(14)7-3-5-15-6-4-7;/h2-6,15,17-18H,7-14H2,1H3,(H,23,28)(H,24,26,29);2-6,11,15,17-18H,7-10,12-14H2,1H3,(H,24,25,28);2-6,11,13H,7-10,17H2,1H3,(H,18,20,22);7H,1-6H2;1H4.

What are the key properties of 6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;N-[[3-(1-benzyl-4-methylpyrrolidin-3-yl)-5-oxo-4H-1,2,4-triazin-6-yl]methyl]oxane-4-carboxamide;(2,5-dioxopyrrolidin-1-yl) oxane-4-carboxylate;methane?

6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;N-[[3-(1-benzyl-4-methylpyrrolidin-3-yl)-5-oxo-4H-1,2,4-triazin-6-yl]methyl]oxane-4-carboxamide;(2,5-dioxopyrrolidin-1-yl) oxane-4-carboxylate;methane has a molecular weight of 1347.63 g/mol, XLogP of 5.51, 16 rotatable bonds, 5 hydrogen bond donors, and 22 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;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;N-[[3-(1-benzyl-4-methylpyrrolidin-3-yl)-5-oxo-4H-1,2,4-triazin-6-yl]methyl]oxane-4-carboxamide;(2,5-dioxopyrrolidin-1-yl) oxane-4-carboxylate;methane is sourced from PubChem (CID 158329160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).