tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,3-dimethyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)aniline;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)-5-(1-methyltetrazol-5-yl)benzamide;[3-(methylamino)-5-(1-methyltetrazol-5-yl)phenyl]-morpholin-4-ylmethanone;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;pentakis(N-methyl-3-(methylamino)benzamide)

C146H196BrN45O15 — CID 159371061

About tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,3-dimethyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)aniline;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)-5-(1-methyltetrazol-5-yl)benzamide;[3-(methylamino)-5-(1-methyltetrazol-5-yl)phenyl]-morpholin-4-ylmethanone;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;pentakis(N-methyl-3-(methylamino)benzamide)

tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,3-dimethyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)aniline;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)-5-(1-methyltetrazol-5-yl)benzamide;[3-(methylamino)-5-(1-methyltetrazol-5-yl)phenyl]-morpholin-4-ylmethanone;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;pentakis(N-methyl-3-(methylamino)benzamide) (PubChem CID 159371061) has the molecular formula C146H196BrN45O15 and a molecular weight of 2901.38 g/mol. Its IUPAC name is tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,3-dimethyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)aniline;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)-5-(1-methyltetrazol-5-yl)benzamide;[3-(methylamino)-5-(1-methyltetrazol-5-yl)phenyl]-morpholin-4-ylmethanone;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;pentakis(N-methyl-3-(methylamino)benzamide).

Molecular Properties

• Compound Name: tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,3-dimethyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)aniline;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)-5-(1-methyltetrazol-5-yl)benzamide;[3-(methylamino)-5-(1-methyltetrazol-5-yl)phenyl]-morpholin-4-ylmethanone;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;pentakis(N-methyl-3-(methylamino)benzamide)
• PubChem CID: 159371061
• Molecular Formula: C146H196BrN45O15
• Molecular Weight: 2901.38 g/mol
• Exact Mass: 2898.51
• IUPAC Name: tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,3-dimethyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)aniline;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)-5-(1-methyltetrazol-5-yl)benzamide;[3-(methylamino)-5-(1-methyltetrazol-5-yl)phenyl]-morpholin-4-ylmethanone;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;pentakis(N-methyl-3-(methylamino)benzamide)
• SMILES: CCc1cc(C(=O)OC)cc(Br)n1.CCc1cc(C(=O)OC)cc(C)n1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNc1cc(-c2c(C)noc2C)ccn1.CNc1cc(-c2nnnn2C)cc(C)n1.CNc1cc(C(=O)N(C)CCO)cc(-c2nnnn2C)c1.CNc1cc(C(=O)N2CCOCC2)cc(-c2nnnn2C)c1.CNc1cc(C)cc(-c2noc(C)n2)c1.CNc1cc(C2CC2)nn1C.CNc1cc(C2CC2)nn1C.CNc1cc(C2CC2)nn1C
• InChI: InChI=1S/C14H18N6O2.C13H18N6O2.2C11H13N3O.C10H13NO2.C9H10BrNO2.C9H12N6.5C9H12N2O.3C8H13N3/c1-15-12-8-10(13-16-17-18-19(13)2)7-11(9-12)14(21)20-3-5-22-6-4-20;1-14-11-7-9(12-15-16-17-19(12)3)6-10(8-11)13(21)18(2)4-5-20;1-7-4-9(6-10(5-7)12-3)11-13-8(2)15-14-11;1-7-11(8(2)15-14-7)9-4-5-13-10(6-9)12-3;1-4-9-6-8(10(12)13-3)5-7(2)11-9;1-3-7-4-6(9(12)13-2)5-8(10)11-7;1-6-4-7(5-8(10-2)11-6)9-12-13-14-15(9)3;5*1-10-8-5-3-4-7(6-8)9(12)11-2;3*1-9-8-5-7(6-3-4-6)10-11(8)2/h7-9,15H,3-6H2,1-2H3;6-8,14,20H,4-5H2,1-3H3;4-6,12H,1-3H3;4-6H,1-3H3,(H,12,13);5-6H,4H2,1-3H3;4-5H,3H2,1-2H3;4-5H,1-3H3,(H,10,11);5*3-6,10H,1-2H3,(H,11,12);3*5-6,9H,3-4H2,1-2H3
• InChIKey: LJTDKXVANBDDDE-UHFFFAOYSA-N
• XLogP: 19.18
• TPSA: 725.34 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 53
• Rotatable Bonds: 34
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2901.38
LogP ≤ 5	19.18
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	53

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,3-dimethyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)aniline;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)-5-(1-methyltetrazol-5-yl)benzamide;[3-(methylamino)-5-(1-methyltetrazol-5-yl)phenyl]-morpholin-4-ylmethanone;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;pentakis(N-methyl-3-(methylamino)benzamide)?

The IUPAC name of tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,3-dimethyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)aniline;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)-5-(1-methyltetrazol-5-yl)benzamide;[3-(methylamino)-5-(1-methyltetrazol-5-yl)phenyl]-morpholin-4-ylmethanone;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;pentakis(N-methyl-3-(methylamino)benzamide) (CID 159371061) is tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,3-dimethyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)aniline;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)-5-(1-methyltetrazol-5-yl)benzamide;[3-(methylamino)-5-(1-methyltetrazol-5-yl)phenyl]-morpholin-4-ylmethanone;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;pentakis(N-methyl-3-(methylamino)benzamide).

What is the SMILES notation for tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,3-dimethyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)aniline;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)-5-(1-methyltetrazol-5-yl)benzamide;[3-(methylamino)-5-(1-methyltetrazol-5-yl)phenyl]-morpholin-4-ylmethanone;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;pentakis(N-methyl-3-(methylamino)benzamide)?

The canonical SMILES for tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,3-dimethyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)aniline;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)-5-(1-methyltetrazol-5-yl)benzamide;[3-(methylamino)-5-(1-methyltetrazol-5-yl)phenyl]-morpholin-4-ylmethanone;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;pentakis(N-methyl-3-(methylamino)benzamide) is CCc1cc(C(=O)OC)cc(Br)n1.CCc1cc(C(=O)OC)cc(C)n1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNc1cc(-c2c(C)noc2C)ccn1.CNc1cc(-c2nnnn2C)cc(C)n1.CNc1cc(C(=O)N(C)CCO)cc(-c2nnnn2C)c1.CNc1cc(C(=O)N2CCOCC2)cc(-c2nnnn2C)c1.CNc1cc(C)cc(-c2noc(C)n2)c1.CNc1cc(C2CC2)nn1C.CNc1cc(C2CC2)nn1C.CNc1cc(C2CC2)nn1C.

What is the InChIKey of tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,3-dimethyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)aniline;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)-5-(1-methyltetrazol-5-yl)benzamide;[3-(methylamino)-5-(1-methyltetrazol-5-yl)phenyl]-morpholin-4-ylmethanone;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;pentakis(N-methyl-3-(methylamino)benzamide)?

The InChIKey is LJTDKXVANBDDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2.C13H18N6O2.2C11H13N3O.C10H13NO2.C9H10BrNO2.C9H12N6.5C9H12N2O.3C8H13N3/c1-15-12-8-10(13-16-17-18-19(13)2)7-11(9-12)14(21)20-3-5-22-6-4-20;1-14-11-7-9(12-15-16-17-19(12)3)6-10(8-11)13(21)18(2)4-5-20;1-7-4-9(6-10(5-7)12-3)11-13-8(2)15-14-11;1-7-11(8(2)15-14-7)9-4-5-13-10(6-9)12-3;1-4-9-6-8(10(12)13-3)5-7(2)11-9;1-3-7-4-6(9(12)13-2)5-8(10)11-7;1-6-4-7(5-8(10-2)11-6)9-12-13-14-15(9)3;5*1-10-8-5-3-4-7(6-8)9(12)11-2;3*1-9-8-5-7(6-3-4-6)10-11(8)2/h7-9,15H,3-6H2,1-2H3;6-8,14,20H,4-5H2,1-3H3;4-6,12H,1-3H3;4-6H,1-3H3,(H,12,13);5-6H,4H2,1-3H3;4-5H,3H2,1-2H3;4-5H,1-3H3,(H,10,11);5*3-6,10H,1-2H3,(H,11,12);3*5-6,9H,3-4H2,1-2H3.

What are the key properties of tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,3-dimethyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)aniline;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)-5-(1-methyltetrazol-5-yl)benzamide;[3-(methylamino)-5-(1-methyltetrazol-5-yl)phenyl]-morpholin-4-ylmethanone;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;pentakis(N-methyl-3-(methylamino)benzamide)?

tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,3-dimethyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)aniline;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)-5-(1-methyltetrazol-5-yl)benzamide;[3-(methylamino)-5-(1-methyltetrazol-5-yl)phenyl]-morpholin-4-ylmethanone;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;pentakis(N-methyl-3-(methylamino)benzamide) has a molecular weight of 2901.38 g/mol, XLogP of 19.18, 34 rotatable bonds, 19 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,3-dimethyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)aniline;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;N-(2-hydroxyethyl)-N-methyl-3-(methylamino)-5-(1-methyltetrazol-5-yl)benzamide;[3-(methylamino)-5-(1-methyltetrazol-5-yl)phenyl]-morpholin-4-ylmethanone;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;pentakis(N-methyl-3-(methylamino)benzamide) is sourced from PubChem (CID 159371061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).