tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,N-dimethyl-3-(methylamino)-5-(1-methyltetrazol-5-yl)benzamide;N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;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;methane;[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;tris(N-methyl-3-(methylamino)benzamide)

C140H191BrN48O14 — CID 159611944

About tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,N-dimethyl-3-(methylamino)-5-(1-methyltetrazol-5-yl)benzamide;N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;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;methane;[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;tris(N-methyl-3-(methylamino)benzamide)

tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,N-dimethyl-3-(methylamino)-5-(1-methyltetrazol-5-yl)benzamide;N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;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;methane;[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;tris(N-methyl-3-(methylamino)benzamide) (PubChem CID 159611944) has the molecular formula C140H191BrN48O14 and a molecular weight of 2850.29 g/mol. Its IUPAC name is tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,N-dimethyl-3-(methylamino)-5-(1-methyltetrazol-5-yl)benzamide;N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;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;methane;[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;tris(N-methyl-3-(methylamino)benzamide).

Molecular Properties

• Compound Name: tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,N-dimethyl-3-(methylamino)-5-(1-methyltetrazol-5-yl)benzamide;N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;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;methane;[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;tris(N-methyl-3-(methylamino)benzamide)
• PubChem CID: 159611944
• Molecular Formula: C140H191BrN48O14
• Molecular Weight: 2850.29 g/mol
• Exact Mass: 2847.49
• IUPAC Name: tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,N-dimethyl-3-(methylamino)-5-(1-methyltetrazol-5-yl)benzamide;N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;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;methane;[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;tris(N-methyl-3-(methylamino)benzamide)
• SMILES: C.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.CNc1cc(-c2c(C)noc2C)ccn1.CNc1cc(-c2nnnn2C)cc(C)n1.CNc1cc(-c2noc(C)n2)cc(C)n1.CNc1cc(C(=O)N(C)C)cc(-c2nnnn2C)c1.CNc1cc(C(=O)N(C)CCO)cc(-c2nnnn2C)c1.CNc1cc(C(=O)N2CCOCC2)cc(-c2nnnn2C)c1.CNc1cc(C2CC2)nn1C.CNc1cc(C2CC2)nn1C.CNc1cc(C2CC2)nn1C
• InChI: InChI=1S/C14H18N6O2.C13H18N6O2.C12H16N6O.C11H13N3O.C10H12N4O.C10H13NO2.C9H10BrNO2.C9H12N6.3C9H12N2O.3C8H13N3.CH4/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;1-13-10-6-8(11-14-15-16-18(11)4)5-9(7-10)12(19)17(2)3;1-7-11(8(2)15-14-7)9-4-5-13-10(6-9)12-3;1-6-4-8(5-9(11-3)12-6)10-13-7(2)15-14-10;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;3*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;5-7,13H,1-4H3;4-6H,1-3H3,(H,12,13);4-5H,1-3H3,(H,11,12);5-6H,4H2,1-3H3;4-5H,3H2,1-2H3;4-5H,1-3H3,(H,10,11);3*3-6,10H,1-2H3,(H,11,12);3*5-6,9H,3-4H2,1-2H3;1H4
• InChIKey: MMUOLNCMOVTKFK-UHFFFAOYSA-N
• XLogP: 17.65
• TPSA: 731.91 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 56
• Rotatable Bonds: 33
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2850.29
LogP ≤ 5	17.65
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	56

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,N-dimethyl-3-(methylamino)-5-(1-methyltetrazol-5-yl)benzamide;N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;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;methane;[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;tris(N-methyl-3-(methylamino)benzamide)?

The IUPAC name of tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,N-dimethyl-3-(methylamino)-5-(1-methyltetrazol-5-yl)benzamide;N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;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;methane;[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;tris(N-methyl-3-(methylamino)benzamide) (CID 159611944) is tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,N-dimethyl-3-(methylamino)-5-(1-methyltetrazol-5-yl)benzamide;N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;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;methane;[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;tris(N-methyl-3-(methylamino)benzamide).

What is the SMILES notation for tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,N-dimethyl-3-(methylamino)-5-(1-methyltetrazol-5-yl)benzamide;N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;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;methane;[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;tris(N-methyl-3-(methylamino)benzamide)?

The canonical SMILES for tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,N-dimethyl-3-(methylamino)-5-(1-methyltetrazol-5-yl)benzamide;N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;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;methane;[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;tris(N-methyl-3-(methylamino)benzamide) is C.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.CNc1cc(-c2c(C)noc2C)ccn1.CNc1cc(-c2nnnn2C)cc(C)n1.CNc1cc(-c2noc(C)n2)cc(C)n1.CNc1cc(C(=O)N(C)C)cc(-c2nnnn2C)c1.CNc1cc(C(=O)N(C)CCO)cc(-c2nnnn2C)c1.CNc1cc(C(=O)N2CCOCC2)cc(-c2nnnn2C)c1.CNc1cc(C2CC2)nn1C.CNc1cc(C2CC2)nn1C.CNc1cc(C2CC2)nn1C.

What is the InChIKey of tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,N-dimethyl-3-(methylamino)-5-(1-methyltetrazol-5-yl)benzamide;N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;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;methane;[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;tris(N-methyl-3-(methylamino)benzamide)?

The InChIKey is MMUOLNCMOVTKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2.C13H18N6O2.C12H16N6O.C11H13N3O.C10H12N4O.C10H13NO2.C9H10BrNO2.C9H12N6.3C9H12N2O.3C8H13N3.CH4/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;1-13-10-6-8(11-14-15-16-18(11)4)5-9(7-10)12(19)17(2)3;1-7-11(8(2)15-14-7)9-4-5-13-10(6-9)12-3;1-6-4-8(5-9(11-3)12-6)10-13-7(2)15-14-10;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;3*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;5-7,13H,1-4H3;4-6H,1-3H3,(H,12,13);4-5H,1-3H3,(H,11,12);5-6H,4H2,1-3H3;4-5H,3H2,1-2H3;4-5H,1-3H3,(H,10,11);3*3-6,10H,1-2H3,(H,11,12);3*5-6,9H,3-4H2,1-2H3;1H4.

What are the key properties of tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,N-dimethyl-3-(methylamino)-5-(1-methyltetrazol-5-yl)benzamide;N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;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;methane;[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;tris(N-methyl-3-(methylamino)benzamide)?

tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,N-dimethyl-3-(methylamino)-5-(1-methyltetrazol-5-yl)benzamide;N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;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;methane;[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;tris(N-methyl-3-(methylamino)benzamide) has a molecular weight of 2850.29 g/mol, XLogP of 17.65, 33 rotatable bonds, 16 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,N-dimethyl-3-(methylamino)-5-(1-methyltetrazol-5-yl)benzamide;N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;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;methane;[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;tris(N-methyl-3-(methylamino)benzamide) is sourced from PubChem (CID 159611944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).