5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carbonitrile;8-(2-chloro-6-methyl-4-pyridinyl)-2-[(dimethylamino)methyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[(dimethylamino)methyl]-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;bis(2-methyl-7-(1-methylpyrazol-3-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine);8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C117H105ClF13N43O2 — CID 160613790

About 5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carbonitrile;8-(2-chloro-6-methyl-4-pyridinyl)-2-[(dimethylamino)methyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[(dimethylamino)methyl]-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;bis(2-methyl-7-(1-methylpyrazol-3-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine);8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carbonitrile;8-(2-chloro-6-methyl-4-pyridinyl)-2-[(dimethylamino)methyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[(dimethylamino)methyl]-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;bis(2-methyl-7-(1-methylpyrazol-3-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine);8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 160613790) has the molecular formula C117H105ClF13N43O2 and a molecular weight of 2427.85 g/mol. Its IUPAC name is 5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carbonitrile;8-(2-chloro-6-methyl-4-pyridinyl)-2-[(dimethylamino)methyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[(dimethylamino)methyl]-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;bis(2-methyl-7-(1-methylpyrazol-3-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine);8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carbonitrile;8-(2-chloro-6-methyl-4-pyridinyl)-2-[(dimethylamino)methyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[(dimethylamino)methyl]-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;bis(2-methyl-7-(1-methylpyrazol-3-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine);8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
• PubChem CID: 160613790
• Molecular Formula: C117H105ClF13N43O2
• Molecular Weight: 2427.85 g/mol
• Exact Mass: 2425.89
• IUPAC Name: 5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carbonitrile;8-(2-chloro-6-methyl-4-pyridinyl)-2-[(dimethylamino)methyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[(dimethylamino)methyl]-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;bis(2-methyl-7-(1-methylpyrazol-3-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine);8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
• SMILES: Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(CN(C)C)nc23)cc(Cl)n1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3nc(C#N)nc23)cc(C)n1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3nc(CN(C)C)nc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3nc(CO[C@H]4CCOC4)nc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccn(C)n3)nc(N)n3nc(C)nc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccn(C)n3)nc(N)n3nc(C)nc23)cc(C(F)(F)F)n1
• InChI: InChI=1S/C23H21F3N6O2.C21H20F3N7.C20H19ClFN7.C19H15N7.2C17H15F3N8/c1-13-9-15(10-17(28-13)23(24,25)26)19-20(14-5-3-2-4-6-14)30-22(27)32-21(19)29-18(31-32)12-34-16-7-8-33-11-16;1-12-9-14(10-15(26-12)21(22,23)24)17-18(13-7-5-4-6-8-13)28-20(25)31-19(17)27-16(29-31)11-30(2)3;1-11-8-13(9-15(21)24-11)17-18(12-4-6-14(22)7-5-12)26-20(23)29-19(17)25-16(27-29)10-28(2)3;1-11-8-14(9-12(2)22-11)16-17(13-6-4-3-5-7-13)24-19(21)26-18(16)23-15(10-20)25-26;2*1-8-6-10(7-12(22-8)17(18,19)20)13-14(11-4-5-27(3)26-11)24-16(21)28-15(13)23-9(2)25-28/h2-6,9-10,16H,7-8,11-12H2,1H3,(H2,27,30);4-10H,11H2,1-3H3,(H2,25,28);4-9H,10H2,1-3H3,(H2,23,26);3-9H,1-2H3,(H2,21,24);2*4-7H,1-3H3,(H2,21,24)/t16-;;;;;/m0...../s1
• InChIKey: RFUZLQGUDPKECR-KVDBKFDSSA-N
• XLogP: 20.02
• TPSA: 576.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 45
• Rotatable Bonds: 19
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2427.85
LogP ≤ 5	20.02
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carbonitrile;8-(2-chloro-6-methyl-4-pyridinyl)-2-[(dimethylamino)methyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[(dimethylamino)methyl]-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;bis(2-methyl-7-(1-methylpyrazol-3-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine);8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

The IUPAC name of 5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carbonitrile;8-(2-chloro-6-methyl-4-pyridinyl)-2-[(dimethylamino)methyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[(dimethylamino)methyl]-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;bis(2-methyl-7-(1-methylpyrazol-3-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine);8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 160613790) is 5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carbonitrile;8-(2-chloro-6-methyl-4-pyridinyl)-2-[(dimethylamino)methyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[(dimethylamino)methyl]-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;bis(2-methyl-7-(1-methylpyrazol-3-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine);8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

What is the SMILES notation for 5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carbonitrile;8-(2-chloro-6-methyl-4-pyridinyl)-2-[(dimethylamino)methyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[(dimethylamino)methyl]-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;bis(2-methyl-7-(1-methylpyrazol-3-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine);8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

The canonical SMILES for 5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carbonitrile;8-(2-chloro-6-methyl-4-pyridinyl)-2-[(dimethylamino)methyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[(dimethylamino)methyl]-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;bis(2-methyl-7-(1-methylpyrazol-3-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine);8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(CN(C)C)nc23)cc(Cl)n1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3nc(C#N)nc23)cc(C)n1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3nc(CN(C)C)nc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3nc(CO[C@H]4CCOC4)nc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccn(C)n3)nc(N)n3nc(C)nc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccn(C)n3)nc(N)n3nc(C)nc23)cc(C(F)(F)F)n1.

What is the InChIKey of 5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carbonitrile;8-(2-chloro-6-methyl-4-pyridinyl)-2-[(dimethylamino)methyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[(dimethylamino)methyl]-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;bis(2-methyl-7-(1-methylpyrazol-3-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine);8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

The InChIKey is RFUZLQGUDPKECR-KVDBKFDSSA-N. The full InChI is InChI=1S/C23H21F3N6O2.C21H20F3N7.C20H19ClFN7.C19H15N7.2C17H15F3N8/c1-13-9-15(10-17(28-13)23(24,25)26)19-20(14-5-3-2-4-6-14)30-22(27)32-21(19)29-18(31-32)12-34-16-7-8-33-11-16;1-12-9-14(10-15(26-12)21(22,23)24)17-18(13-7-5-4-6-8-13)28-20(25)31-19(17)27-16(29-31)11-30(2)3;1-11-8-13(9-15(21)24-11)17-18(12-4-6-14(22)7-5-12)26-20(23)29-19(17)25-16(27-29)10-28(2)3;1-11-8-14(9-12(2)22-11)16-17(13-6-4-3-5-7-13)24-19(21)26-18(16)23-15(10-20)25-26;2*1-8-6-10(7-12(22-8)17(18,19)20)13-14(11-4-5-27(3)26-11)24-16(21)28-15(13)23-9(2)25-28/h2-6,9-10,16H,7-8,11-12H2,1H3,(H2,27,30);4-10H,11H2,1-3H3,(H2,25,28);4-9H,10H2,1-3H3,(H2,23,26);3-9H,1-2H3,(H2,21,24);2*4-7H,1-3H3,(H2,21,24)/t16-;;;;;/m0...../s1.

What are the key properties of 5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carbonitrile;8-(2-chloro-6-methyl-4-pyridinyl)-2-[(dimethylamino)methyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[(dimethylamino)methyl]-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;bis(2-methyl-7-(1-methylpyrazol-3-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine);8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carbonitrile;8-(2-chloro-6-methyl-4-pyridinyl)-2-[(dimethylamino)methyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[(dimethylamino)methyl]-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;bis(2-methyl-7-(1-methylpyrazol-3-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine);8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 2427.85 g/mol, XLogP of 20.02, 19 rotatable bonds, 6 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carbonitrile;8-(2-chloro-6-methyl-4-pyridinyl)-2-[(dimethylamino)methyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[(dimethylamino)methyl]-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;bis(2-methyl-7-(1-methylpyrazol-3-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine);8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 160613790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).