4-benzyl-N,N-dimethyltriazole-1-carboxamide;N-(4-chlorobutyl)-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide;[5-[(2-chloro-4-methylphenyl)methyl]tetrazol-2-yl]-[4-(quinolin-2-ylmethyl)piperazin-1-yl]methanone;9-[1-(dimethylamino)ethenyl]-N,N-dimethyl-6-oxo-4,5-dihydropurine-1-carboxamide;N,N-dimethyl-2-phenylmethoxypurine-7-carboxamide;N,N-dimethyl-3-phenyl-1,2,4-triazole-1-carboxamide;N,N-dimethylpurine-7-carboxamide;N,N-dimethylpurine-9-carboxamide;(4-phenylimidazol-1-yl)-[4-(quinolin-2-ylmethyl)piperazin-1-yl]methanone

C128H141Cl2N45O11 — CID 157445227

About 4-benzyl-N,N-dimethyltriazole-1-carboxamide;N-(4-chlorobutyl)-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide;[5-[(2-chloro-4-methylphenyl)methyl]tetrazol-2-yl]-[4-(quinolin-2-ylmethyl)piperazin-1-yl]methanone;9-[1-(dimethylamino)ethenyl]-N,N-dimethyl-6-oxo-4,5-dihydropurine-1-carboxamide;N,N-dimethyl-2-phenylmethoxypurine-7-carboxamide;N,N-dimethyl-3-phenyl-1,2,4-triazole-1-carboxamide;N,N-dimethylpurine-7-carboxamide;N,N-dimethylpurine-9-carboxamide;(4-phenylimidazol-1-yl)-[4-(quinolin-2-ylmethyl)piperazin-1-yl]methanone

4-benzyl-N,N-dimethyltriazole-1-carboxamide;N-(4-chlorobutyl)-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide;[5-[(2-chloro-4-methylphenyl)methyl]tetrazol-2-yl]-[4-(quinolin-2-ylmethyl)piperazin-1-yl]methanone;9-[1-(dimethylamino)ethenyl]-N,N-dimethyl-6-oxo-4,5-dihydropurine-1-carboxamide;N,N-dimethyl-2-phenylmethoxypurine-7-carboxamide;N,N-dimethyl-3-phenyl-1,2,4-triazole-1-carboxamide;N,N-dimethylpurine-7-carboxamide;N,N-dimethylpurine-9-carboxamide;(4-phenylimidazol-1-yl)-[4-(quinolin-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 157445227) has the molecular formula C128H141Cl2N45O11 and a molecular weight of 2556.75 g/mol. Its IUPAC name is 4-benzyl-N,N-dimethyltriazole-1-carboxamide;N-(4-chlorobutyl)-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide;[5-[(2-chloro-4-methylphenyl)methyl]tetrazol-2-yl]-[4-(quinolin-2-ylmethyl)piperazin-1-yl]methanone;9-[1-(dimethylamino)ethenyl]-N,N-dimethyl-6-oxo-4,5-dihydropurine-1-carboxamide;N,N-dimethyl-2-phenylmethoxypurine-7-carboxamide;N,N-dimethyl-3-phenyl-1,2,4-triazole-1-carboxamide;N,N-dimethylpurine-7-carboxamide;N,N-dimethylpurine-9-carboxamide;(4-phenylimidazol-1-yl)-[4-(quinolin-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: 4-benzyl-N,N-dimethyltriazole-1-carboxamide;N-(4-chlorobutyl)-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide;[5-[(2-chloro-4-methylphenyl)methyl]tetrazol-2-yl]-[4-(quinolin-2-ylmethyl)piperazin-1-yl]methanone;9-[1-(dimethylamino)ethenyl]-N,N-dimethyl-6-oxo-4,5-dihydropurine-1-carboxamide;N,N-dimethyl-2-phenylmethoxypurine-7-carboxamide;N,N-dimethyl-3-phenyl-1,2,4-triazole-1-carboxamide;N,N-dimethylpurine-7-carboxamide;N,N-dimethylpurine-9-carboxamide;(4-phenylimidazol-1-yl)-[4-(quinolin-2-ylmethyl)piperazin-1-yl]methanone
• PubChem CID: 157445227
• Molecular Formula: C128H141Cl2N45O11
• Molecular Weight: 2556.75 g/mol
• Exact Mass: 2554.12
• IUPAC Name: 4-benzyl-N,N-dimethyltriazole-1-carboxamide;N-(4-chlorobutyl)-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide;[5-[(2-chloro-4-methylphenyl)methyl]tetrazol-2-yl]-[4-(quinolin-2-ylmethyl)piperazin-1-yl]methanone;9-[1-(dimethylamino)ethenyl]-N,N-dimethyl-6-oxo-4,5-dihydropurine-1-carboxamide;N,N-dimethyl-2-phenylmethoxypurine-7-carboxamide;N,N-dimethyl-3-phenyl-1,2,4-triazole-1-carboxamide;N,N-dimethylpurine-7-carboxamide;N,N-dimethylpurine-9-carboxamide;(4-phenylimidazol-1-yl)-[4-(quinolin-2-ylmethyl)piperazin-1-yl]methanone
• SMILES: C=C(N(C)C)N1C=NC2C(=O)N(C(=O)N(C)C)C=NC21.CN(C)C(=O)n1cc(Cc2ccccc2)nn1.CN(C)C(=O)n1cnc(-c2ccccc2)n1.CN(C)C(=O)n1cnc2cncnc21.CN(C)C(=O)n1cnc2nc(OCc3ccccc3)ncc21.CN(C)C(=O)n1cnc2ncncc21.CN(CCCCCl)C(=O)n1cnc(-c2ccccc2)n1.Cc1ccc(Cc2nnn(C(=O)N3CCN(Cc4ccc5ccccc5n4)CC3)n2)c(Cl)c1.O=C(N1CCN(Cc2ccc3ccccc3n2)CC1)n1cnc(-c2ccccc2)c1
• InChI: InChI=1S/C24H24ClN7O.C24H23N5O.C15H15N5O2.C14H17ClN4O.C12H18N6O2.C12H14N4O.C11H12N4O.2C8H9N5O/c1-17-6-7-19(21(25)14-17)15-23-27-29-32(28-23)24(33)31-12-10-30(11-13-31)16-20-9-8-18-4-2-3-5-22(18)26-20;30-24(29-17-23(25-18-29)19-6-2-1-3-7-19)28-14-12-27(13-15-28)16-21-11-10-20-8-4-5-9-22(20)26-21;1-19(2)15(21)20-10-17-13-12(20)8-16-14(18-13)22-9-11-6-4-3-5-7-11;1-18(10-6-5-9-15)14(20)19-11-16-13(17-19)12-7-3-2-4-8-12;1-8(15(2)3)17-6-13-9-10(17)14-7-18(11(9)19)12(20)16(4)5;1-15(2)12(17)16-9-11(13-14-16)8-10-6-4-3-5-7-10;1-14(2)11(16)15-8-12-10(13-15)9-6-4-3-5-7-9;1-12(2)8(14)13-5-11-7-6(13)3-9-4-10-7;1-12(2)8(14)13-5-11-6-3-9-4-10-7(6)13/h2-9,14H,10-13,15-16H2,1H3;1-11,17-18H,12-16H2;3-8,10H,9H2,1-2H3;2-4,7-8,11H,5-6,9-10H2,1H3;6-7,9-10H,1H2,2-5H3;3-7,9H,8H2,1-2H3;3-8H,1-2H3;2*3-5H,1-2H3
• InChIKey: BSDIFUBVAZMMKZ-UHFFFAOYSA-N
• XLogP: 15.44
• TPSA: 560.14 Ų
• H-Bond Acceptors: 46
• Rotatable Bonds: 20
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2556.75
LogP ≤ 5	15.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N,N-dimethyltriazole-1-carboxamide;N-(4-chlorobutyl)-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide;[5-[(2-chloro-4-methylphenyl)methyl]tetrazol-2-yl]-[4-(quinolin-2-ylmethyl)piperazin-1-yl]methanone;9-[1-(dimethylamino)ethenyl]-N,N-dimethyl-6-oxo-4,5-dihydropurine-1-carboxamide;N,N-dimethyl-2-phenylmethoxypurine-7-carboxamide;N,N-dimethyl-3-phenyl-1,2,4-triazole-1-carboxamide;N,N-dimethylpurine-7-carboxamide;N,N-dimethylpurine-9-carboxamide;(4-phenylimidazol-1-yl)-[4-(quinolin-2-ylmethyl)piperazin-1-yl]methanone?

The IUPAC name of 4-benzyl-N,N-dimethyltriazole-1-carboxamide;N-(4-chlorobutyl)-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide;[5-[(2-chloro-4-methylphenyl)methyl]tetrazol-2-yl]-[4-(quinolin-2-ylmethyl)piperazin-1-yl]methanone;9-[1-(dimethylamino)ethenyl]-N,N-dimethyl-6-oxo-4,5-dihydropurine-1-carboxamide;N,N-dimethyl-2-phenylmethoxypurine-7-carboxamide;N,N-dimethyl-3-phenyl-1,2,4-triazole-1-carboxamide;N,N-dimethylpurine-7-carboxamide;N,N-dimethylpurine-9-carboxamide;(4-phenylimidazol-1-yl)-[4-(quinolin-2-ylmethyl)piperazin-1-yl]methanone (CID 157445227) is 4-benzyl-N,N-dimethyltriazole-1-carboxamide;N-(4-chlorobutyl)-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide;[5-[(2-chloro-4-methylphenyl)methyl]tetrazol-2-yl]-[4-(quinolin-2-ylmethyl)piperazin-1-yl]methanone;9-[1-(dimethylamino)ethenyl]-N,N-dimethyl-6-oxo-4,5-dihydropurine-1-carboxamide;N,N-dimethyl-2-phenylmethoxypurine-7-carboxamide;N,N-dimethyl-3-phenyl-1,2,4-triazole-1-carboxamide;N,N-dimethylpurine-7-carboxamide;N,N-dimethylpurine-9-carboxamide;(4-phenylimidazol-1-yl)-[4-(quinolin-2-ylmethyl)piperazin-1-yl]methanone.

What is the SMILES notation for 4-benzyl-N,N-dimethyltriazole-1-carboxamide;N-(4-chlorobutyl)-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide;[5-[(2-chloro-4-methylphenyl)methyl]tetrazol-2-yl]-[4-(quinolin-2-ylmethyl)piperazin-1-yl]methanone;9-[1-(dimethylamino)ethenyl]-N,N-dimethyl-6-oxo-4,5-dihydropurine-1-carboxamide;N,N-dimethyl-2-phenylmethoxypurine-7-carboxamide;N,N-dimethyl-3-phenyl-1,2,4-triazole-1-carboxamide;N,N-dimethylpurine-7-carboxamide;N,N-dimethylpurine-9-carboxamide;(4-phenylimidazol-1-yl)-[4-(quinolin-2-ylmethyl)piperazin-1-yl]methanone?

The canonical SMILES for 4-benzyl-N,N-dimethyltriazole-1-carboxamide;N-(4-chlorobutyl)-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide;[5-[(2-chloro-4-methylphenyl)methyl]tetrazol-2-yl]-[4-(quinolin-2-ylmethyl)piperazin-1-yl]methanone;9-[1-(dimethylamino)ethenyl]-N,N-dimethyl-6-oxo-4,5-dihydropurine-1-carboxamide;N,N-dimethyl-2-phenylmethoxypurine-7-carboxamide;N,N-dimethyl-3-phenyl-1,2,4-triazole-1-carboxamide;N,N-dimethylpurine-7-carboxamide;N,N-dimethylpurine-9-carboxamide;(4-phenylimidazol-1-yl)-[4-(quinolin-2-ylmethyl)piperazin-1-yl]methanone is C=C(N(C)C)N1C=NC2C(=O)N(C(=O)N(C)C)C=NC21.CN(C)C(=O)n1cc(Cc2ccccc2)nn1.CN(C)C(=O)n1cnc(-c2ccccc2)n1.CN(C)C(=O)n1cnc2cncnc21.CN(C)C(=O)n1cnc2nc(OCc3ccccc3)ncc21.CN(C)C(=O)n1cnc2ncncc21.CN(CCCCCl)C(=O)n1cnc(-c2ccccc2)n1.Cc1ccc(Cc2nnn(C(=O)N3CCN(Cc4ccc5ccccc5n4)CC3)n2)c(Cl)c1.O=C(N1CCN(Cc2ccc3ccccc3n2)CC1)n1cnc(-c2ccccc2)c1.

What is the InChIKey of 4-benzyl-N,N-dimethyltriazole-1-carboxamide;N-(4-chlorobutyl)-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide;[5-[(2-chloro-4-methylphenyl)methyl]tetrazol-2-yl]-[4-(quinolin-2-ylmethyl)piperazin-1-yl]methanone;9-[1-(dimethylamino)ethenyl]-N,N-dimethyl-6-oxo-4,5-dihydropurine-1-carboxamide;N,N-dimethyl-2-phenylmethoxypurine-7-carboxamide;N,N-dimethyl-3-phenyl-1,2,4-triazole-1-carboxamide;N,N-dimethylpurine-7-carboxamide;N,N-dimethylpurine-9-carboxamide;(4-phenylimidazol-1-yl)-[4-(quinolin-2-ylmethyl)piperazin-1-yl]methanone?

The InChIKey is BSDIFUBVAZMMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN7O.C24H23N5O.C15H15N5O2.C14H17ClN4O.C12H18N6O2.C12H14N4O.C11H12N4O.2C8H9N5O/c1-17-6-7-19(21(25)14-17)15-23-27-29-32(28-23)24(33)31-12-10-30(11-13-31)16-20-9-8-18-4-2-3-5-22(18)26-20;30-24(29-17-23(25-18-29)19-6-2-1-3-7-19)28-14-12-27(13-15-28)16-21-11-10-20-8-4-5-9-22(20)26-21;1-19(2)15(21)20-10-17-13-12(20)8-16-14(18-13)22-9-11-6-4-3-5-7-11;1-18(10-6-5-9-15)14(20)19-11-16-13(17-19)12-7-3-2-4-8-12;1-8(15(2)3)17-6-13-9-10(17)14-7-18(11(9)19)12(20)16(4)5;1-15(2)12(17)16-9-11(13-14-16)8-10-6-4-3-5-7-10;1-14(2)11(16)15-8-12-10(13-15)9-6-4-3-5-7-9;1-12(2)8(14)13-5-11-7-6(13)3-9-4-10-7;1-12(2)8(14)13-5-11-6-3-9-4-10-7(6)13/h2-9,14H,10-13,15-16H2,1H3;1-11,17-18H,12-16H2;3-8,10H,9H2,1-2H3;2-4,7-8,11H,5-6,9-10H2,1H3;6-7,9-10H,1H2,2-5H3;3-7,9H,8H2,1-2H3;3-8H,1-2H3;2*3-5H,1-2H3.

What are the key properties of 4-benzyl-N,N-dimethyltriazole-1-carboxamide;N-(4-chlorobutyl)-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide;[5-[(2-chloro-4-methylphenyl)methyl]tetrazol-2-yl]-[4-(quinolin-2-ylmethyl)piperazin-1-yl]methanone;9-[1-(dimethylamino)ethenyl]-N,N-dimethyl-6-oxo-4,5-dihydropurine-1-carboxamide;N,N-dimethyl-2-phenylmethoxypurine-7-carboxamide;N,N-dimethyl-3-phenyl-1,2,4-triazole-1-carboxamide;N,N-dimethylpurine-7-carboxamide;N,N-dimethylpurine-9-carboxamide;(4-phenylimidazol-1-yl)-[4-(quinolin-2-ylmethyl)piperazin-1-yl]methanone?

4-benzyl-N,N-dimethyltriazole-1-carboxamide;N-(4-chlorobutyl)-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide;[5-[(2-chloro-4-methylphenyl)methyl]tetrazol-2-yl]-[4-(quinolin-2-ylmethyl)piperazin-1-yl]methanone;9-[1-(dimethylamino)ethenyl]-N,N-dimethyl-6-oxo-4,5-dihydropurine-1-carboxamide;N,N-dimethyl-2-phenylmethoxypurine-7-carboxamide;N,N-dimethyl-3-phenyl-1,2,4-triazole-1-carboxamide;N,N-dimethylpurine-7-carboxamide;N,N-dimethylpurine-9-carboxamide;(4-phenylimidazol-1-yl)-[4-(quinolin-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 2556.75 g/mol, XLogP of 15.44, 20 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 4-benzyl-N,N-dimethyltriazole-1-carboxamide;N-(4-chlorobutyl)-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide;[5-[(2-chloro-4-methylphenyl)methyl]tetrazol-2-yl]-[4-(quinolin-2-ylmethyl)piperazin-1-yl]methanone;9-[1-(dimethylamino)ethenyl]-N,N-dimethyl-6-oxo-4,5-dihydropurine-1-carboxamide;N,N-dimethyl-2-phenylmethoxypurine-7-carboxamide;N,N-dimethyl-3-phenyl-1,2,4-triazole-1-carboxamide;N,N-dimethylpurine-7-carboxamide;N,N-dimethylpurine-9-carboxamide;(4-phenylimidazol-1-yl)-[4-(quinolin-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 157445227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).