6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(5-chloro-2-methylphenyl)-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]-5-chloro-2-methylbenzamide;5-chloro-2-methylbenzoyl chloride;N,N-diethylethanamine;methane

C79H96Cl4N16O5 — CID 159744480

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-(5-chloro-2-methylphenyl)-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]-5-chloro-2-methylbenzamide;5-chloro-2-methylbenzoyl chloride;N,N-diethylethanamine;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-(5-chloro-2-methylphenyl)-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]-5-chloro-2-methylbenzamide;5-chloro-2-methylbenzoyl chloride;N,N-diethylethanamine;methane (PubChem CID 159744480) has the molecular formula C79H96Cl4N16O5 and a molecular weight of 1491.56 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-(5-chloro-2-methylphenyl)-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]-5-chloro-2-methylbenzamide;5-chloro-2-methylbenzoyl chloride;N,N-diethylethanamine;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-(5-chloro-2-methylphenyl)-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]-5-chloro-2-methylbenzamide;5-chloro-2-methylbenzoyl chloride;N,N-diethylethanamine;methane
• PubChem CID: 159744480
• Molecular Formula: C79H96Cl4N16O5
• Molecular Weight: 1491.56 g/mol
• Exact Mass: 1488.65
• 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-(5-chloro-2-methylphenyl)-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]-5-chloro-2-methylbenzamide;5-chloro-2-methylbenzoyl chloride;N,N-diethylethanamine;methane
• SMILES: C.CC1CN(Cc2ccccc2)CC1c1nnc(CN)c(=O)[nH]1.CCN(CC)CC.Cc1ccc(Cl)cc1-c1ncc2c(=O)[nH]c(C3CN(Cc4ccccc4)CC3C)nn12.Cc1ccc(Cl)cc1C(=O)Cl.Cc1ccc(Cl)cc1C(=O)NCc1nnc(C2CN(Cc3ccccc3)CC2C)[nH]c1=O
• InChI: InChI=1S/C24H26ClN5O2.C24H24ClN5O.C16H21N5O.C8H6Cl2O.C6H15N.CH4/c1-15-8-9-18(25)10-19(15)23(31)26-11-21-24(32)27-22(29-28-21)20-14-30(12-16(20)2)13-17-6-4-3-5-7-17;1-15-8-9-18(25)10-19(15)23-26-11-21-24(31)27-22(28-30(21)23)20-14-29(12-16(20)2)13-17-6-4-3-5-7-17;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;1-5-2-3-6(9)4-7(5)8(10)11;1-4-7(5-2)6-3;/h3-10,16,20H,11-14H2,1-2H3,(H,26,31)(H,27,29,32);3-11,16,20H,12-14H2,1-2H3,(H,27,28,31);2-6,11,13H,7-10,17H2,1H3,(H,18,20,22);2-4H,1H3;4-6H2,1-3H3;1H4
• InChIKey: NCWGZEOKQWDEFT-UHFFFAOYSA-N
• XLogP: 13.44
• TPSA: 265.48 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1491.56
LogP ≤ 5	13.44
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', '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-(5-chloro-2-methylphenyl)-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]-5-chloro-2-methylbenzamide;5-chloro-2-methylbenzoyl chloride;N,N-diethylethanamine;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-(5-chloro-2-methylphenyl)-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]-5-chloro-2-methylbenzamide;5-chloro-2-methylbenzoyl chloride;N,N-diethylethanamine;methane (CID 159744480) 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-(5-chloro-2-methylphenyl)-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]-5-chloro-2-methylbenzamide;5-chloro-2-methylbenzoyl chloride;N,N-diethylethanamine;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-(5-chloro-2-methylphenyl)-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]-5-chloro-2-methylbenzamide;5-chloro-2-methylbenzoyl chloride;N,N-diethylethanamine;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-(5-chloro-2-methylphenyl)-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]-5-chloro-2-methylbenzamide;5-chloro-2-methylbenzoyl chloride;N,N-diethylethanamine;methane is C.CC1CN(Cc2ccccc2)CC1c1nnc(CN)c(=O)[nH]1.CCN(CC)CC.Cc1ccc(Cl)cc1-c1ncc2c(=O)[nH]c(C3CN(Cc4ccccc4)CC3C)nn12.Cc1ccc(Cl)cc1C(=O)Cl.Cc1ccc(Cl)cc1C(=O)NCc1nnc(C2CN(Cc3ccccc3)CC2C)[nH]c1=O.

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-(5-chloro-2-methylphenyl)-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]-5-chloro-2-methylbenzamide;5-chloro-2-methylbenzoyl chloride;N,N-diethylethanamine;methane?

The InChIKey is NCWGZEOKQWDEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O2.C24H24ClN5O.C16H21N5O.C8H6Cl2O.C6H15N.CH4/c1-15-8-9-18(25)10-19(15)23(31)26-11-21-24(32)27-22(29-28-21)20-14-30(12-16(20)2)13-17-6-4-3-5-7-17;1-15-8-9-18(25)10-19(15)23-26-11-21-24(31)27-22(28-30(21)23)20-14-29(12-16(20)2)13-17-6-4-3-5-7-17;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;1-5-2-3-6(9)4-7(5)8(10)11;1-4-7(5-2)6-3;/h3-10,16,20H,11-14H2,1-2H3,(H,26,31)(H,27,29,32);3-11,16,20H,12-14H2,1-2H3,(H,27,28,31);2-6,11,13H,7-10,17H2,1H3,(H,18,20,22);2-4H,1H3;4-6H2,1-3H3;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-(5-chloro-2-methylphenyl)-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]-5-chloro-2-methylbenzamide;5-chloro-2-methylbenzoyl chloride;N,N-diethylethanamine;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-(5-chloro-2-methylphenyl)-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]-5-chloro-2-methylbenzamide;5-chloro-2-methylbenzoyl chloride;N,N-diethylethanamine;methane has a molecular weight of 1491.56 g/mol, XLogP of 13.44, 18 rotatable bonds, 5 hydrogen bond donors, and 17 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-(5-chloro-2-methylphenyl)-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]-5-chloro-2-methylbenzamide;5-chloro-2-methylbenzoyl chloride;N,N-diethylethanamine;methane is sourced from PubChem (CID 159744480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).