[5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-7-phenyl-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(3,5-difluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C134H100Cl4F12N46O5 — CID 160739392

IUPAC[5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-7-phenyl-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(3,5-difluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCOc1c(F)cc(F)cc1-c1nc(N)n2ncnc2c1-c1cc(Cl)nc(C(F)(F)F)c1.COc1ccc(F)cc1-c1nc(N)n2ncnc2c1-c1cc(Cl)nc(C(F)(F)F)c1.COc1ccccc1-c1nc(N)n2ncnc2c1-c1cc(Cl)nc(C(F)(F)F)c1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3nc(C)nc23)cc(Cl)n1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3nc(CO)nc23)cc(C)n1.Cc1nc2c(-c3ccc4n[nH]nc4c3)c(-c3ccccc3)nc(N)n2n1.Nc1nc(-c2ccccc2)c(-c2ccc3n[nH]nc3c2)c2nc(COCc3ccccc3)nn12
InChIInChI=1S/C25H20N8O.C19H18N6O.C18H10ClF5N6O.C18H11ClF4N6O.C18H12ClF3N6O.C18H15ClN6.C18H14N8/c26-25-28-23(17-9-5-2-6-10-17)22(18-11-12-19-20(13-18)30-32-29-19)24-27-21(31-33(24)25)15-34-14-16-7-3-1-4-8-16;1-11-8-14(9-12(2)21-11)16-17(13-6-4-3-5-7-13)23-19(20)25-18(16)22-15(10-26)24-25;1-31-15-9(4-8(20)5-10(15)21)14-13(16-26-6-27-30(16)17(25)29-14)7-2-11(18(22,23)24)28-12(19)3-7;1-30-11-3-2-9(20)6-10(11)15-14(16-25-7-26-29(16)17(24)28-15)8-4-12(18(21,22)23)27-13(19)5-8;1-29-11-5-3-2-4-10(11)15-14(16-24-8-25-28(16)17(23)27-15)9-6-12(18(20,21)22)26-13(19)7-9;1-10-8-13(9-14(19)21-10)15-16(12-6-4-3-5-7-12)23-18(20)25-17(15)22-11(2)24-25;1-10-20-17-15(12-7-8-13-14(9-12)23-25-22-13)16(11-5-3-2-4-6-11)21-18(19)26(17)24-10/h1-13H,14-15H2,(H2,26,28)(H,29,30,32);3-9,26H,10H2,1-2H3,(H2,20,23);2-6H,1H3,(H2,25,29);2-7H,1H3,(H2,24,28);2-8H,1H3,(H2,23,27);3-9H,1-2H3,(H2,20,23);2-9H,1H3,(H2,19,21)(H,22,23,25)
InChIKeyRVJJJSPKRCVBLY-UHFFFAOYSA-N
MW2804.38 g/mol
LogP25.67
Rot. Bonds22

About [5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-7-phenyl-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(3,5-difluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(2-methoxyphenyl)-[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]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-7-phenyl-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(3,5-difluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 160739392) has the molecular formula C134H100Cl4F12N46O5 and a molecular weight of 2804.38 g/mol. Its IUPAC name is [5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-7-phenyl-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(3,5-difluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(2-methoxyphenyl)-[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]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-7-phenyl-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(3,5-difluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID160739392
Molecular FormulaC134H100Cl4F12N46O5
Molecular Weight2804.38 g/mol
Exact Mass2800.75
IUPAC Name[5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-7-phenyl-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(3,5-difluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCOc1c(F)cc(F)cc1-c1nc(N)n2ncnc2c1-c1cc(Cl)nc(C(F)(F)F)c1.COc1ccc(F)cc1-c1nc(N)n2ncnc2c1-c1cc(Cl)nc(C(F)(F)F)c1.COc1ccccc1-c1nc(N)n2ncnc2c1-c1cc(Cl)nc(C(F)(F)F)c1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3nc(C)nc23)cc(Cl)n1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3nc(CO)nc23)cc(C)n1.Cc1nc2c(-c3ccc4n[nH]nc4c3)c(-c3ccccc3)nc(N)n2n1.Nc1nc(-c2ccccc2)c(-c2ccc3n[nH]nc3c2)c2nc(COCc3ccccc3)nn12
InChIInChI=1S/C25H20N8O.C19H18N6O.C18H10ClF5N6O.C18H11ClF4N6O.C18H12ClF3N6O.C18H15ClN6.C18H14N8/c26-25-28-23(17-9-5-2-6-10-17)22(18-11-12-19-20(13-18)30-32-29-19)24-27-21(31-33(24)25)15-34-14-16-7-3-1-4-8-16;1-11-8-14(9-12(2)21-11)16-17(13-6-4-3-5-7-13)23-19(20)25-18(16)22-15(10-26)24-25;1-31-15-9(4-8(20)5-10(15)21)14-13(16-26-6-27-30(16)17(25)29-14)7-2-11(18(22,23)24)28-12(19)3-7;1-30-11-3-2-9(20)6-10(11)15-14(16-25-7-26-29(16)17(24)28-15)8-4-12(18(21,22)23)27-13(19)5-8;1-29-11-5-3-2-4-10(11)15-14(16-24-8-25-28(16)17(23)27-15)9-6-12(18(20,21)22)26-13(19)7-9;1-10-8-13(9-14(19)21-10)15-16(12-6-4-3-5-7-12)23-18(20)25-17(15)22-11(2)24-25;1-10-20-17-15(12-7-8-13-14(9-12)23-25-22-13)16(11-5-3-2-4-6-11)21-18(19)26(17)24-10/h1-13H,14-15H2,(H2,26,28)(H,29,30,32);3-9,26H,10H2,1-2H3,(H2,20,23);2-6H,1H3,(H2,25,29);2-7H,1H3,(H2,24,28);2-8H,1H3,(H2,23,27);3-9H,1-2H3,(H2,20,23);2-9H,1H3,(H2,19,21)(H,22,23,25)
InChIKeyRVJJJSPKRCVBLY-UHFFFAOYSA-N
XLogP25.67
TPSA688.44 Ų
H-Bond Donors10
H-Bond Acceptors49
Rotatable Bonds22
Heavy Atoms201
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002804.38
LogP ≤ 525.67
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

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

Analyze [5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-7-phenyl-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(3,5-difluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine with MolForge

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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]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-7-phenyl-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(3,5-difluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(2-methoxyphenyl)-[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]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-7-phenyl-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(3,5-difluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 160739392) is [5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-7-phenyl-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(3,5-difluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(2-methoxyphenyl)-[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]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-7-phenyl-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(3,5-difluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(2-methoxyphenyl)-[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]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-7-phenyl-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(3,5-difluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is COc1c(F)cc(F)cc1-c1nc(N)n2ncnc2c1-c1cc(Cl)nc(C(F)(F)F)c1.COc1ccc(F)cc1-c1nc(N)n2ncnc2c1-c1cc(Cl)nc(C(F)(F)F)c1.COc1ccccc1-c1nc(N)n2ncnc2c1-c1cc(Cl)nc(C(F)(F)F)c1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3nc(C)nc23)cc(Cl)n1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3nc(CO)nc23)cc(C)n1.Cc1nc2c(-c3ccc4n[nH]nc4c3)c(-c3ccccc3)nc(N)n2n1.Nc1nc(-c2ccccc2)c(-c2ccc3n[nH]nc3c2)c2nc(COCc3ccccc3)nn12.
What is the InChIKey of [5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-7-phenyl-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(3,5-difluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is RVJJJSPKRCVBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N8O.C19H18N6O.C18H10ClF5N6O.C18H11ClF4N6O.C18H12ClF3N6O.C18H15ClN6.C18H14N8/c26-25-28-23(17-9-5-2-6-10-17)22(18-11-12-19-20(13-18)30-32-29-19)24-27-21(31-33(24)25)15-34-14-16-7-3-1-4-8-16;1-11-8-14(9-12(2)21-11)16-17(13-6-4-3-5-7-13)23-19(20)25-18(16)22-15(10-26)24-25;1-31-15-9(4-8(20)5-10(15)21)14-13(16-26-6-27-30(16)17(25)29-14)7-2-11(18(22,23)24)28-12(19)3-7;1-30-11-3-2-9(20)6-10(11)15-14(16-25-7-26-29(16)17(24)28-15)8-4-12(18(21,22)23)27-13(19)5-8;1-29-11-5-3-2-4-10(11)15-14(16-24-8-25-28(16)17(23)27-15)9-6-12(18(20,21)22)26-13(19)7-9;1-10-8-13(9-14(19)21-10)15-16(12-6-4-3-5-7-12)23-18(20)25-17(15)22-11(2)24-25;1-10-20-17-15(12-7-8-13-14(9-12)23-25-22-13)16(11-5-3-2-4-6-11)21-18(19)26(17)24-10/h1-13H,14-15H2,(H2,26,28)(H,29,30,32);3-9,26H,10H2,1-2H3,(H2,20,23);2-6H,1H3,(H2,25,29);2-7H,1H3,(H2,24,28);2-8H,1H3,(H2,23,27);3-9H,1-2H3,(H2,20,23);2-9H,1H3,(H2,19,21)(H,22,23,25).
What are the key properties of [5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-7-phenyl-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(3,5-difluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(2-methoxyphenyl)-[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]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-7-phenyl-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(3,5-difluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 2804.38 g/mol, XLogP of 25.67, 22 rotatable bonds, 10 hydrogen bond donors, and 49 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]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-7-phenyl-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(3,5-difluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 160739392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).