[5-amino-8-(2H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-2-cyclopropyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-ethyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-methoxyphenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C114H93F3N46O3 — CID 157086463

About [5-amino-8-(2H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-2-cyclopropyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-ethyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-methoxyphenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

[5-amino-8-(2H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-2-cyclopropyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-ethyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-methoxyphenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 157086463) has the molecular formula C114H93F3N46O3 and a molecular weight of 2212.31 g/mol. Its IUPAC name is [5-amino-8-(2H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-2-cyclopropyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-ethyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-methoxyphenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: [5-amino-8-(2H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-2-cyclopropyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-ethyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-methoxyphenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
• PubChem CID: 157086463
• Molecular Formula: C114H93F3N46O3
• Molecular Weight: 2212.31 g/mol
• Exact Mass: 2210.85
• IUPAC Name: [5-amino-8-(2H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-2-cyclopropyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-ethyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-methoxyphenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
• SMILES: CCc1nc2c(-c3ccc4n[nH]nc4c3)c(-c3ccccc3)nc(N)n2n1.COCc1nc2c(-c3ccc4n[nH]nc4c3)c(-c3ccccc3)nc(N)n2n1.COc1ccccc1-c1nc(N)n2nc(C)nc2c1-c1cc(C)nc(C(F)(F)F)c1.Cc1nc2c(-c3ccc4n[nH]nc4c3)c(-c3ccccc3)nc(N)n2n1.Nc1nc(-c2ccccc2)c(-c2ccc3n[nH]nc3c2)c2nc(C3CC3)nn12.Nc1nc(-c2ccccc2)c(-c2ccc3n[nH]nc3c2)c2nc(CO)nn12
• InChI: InChI=1S/C20H17F3N6O.C20H16N8.C19H16N8O.C19H16N8.C18H14N8O.C18H14N8/c1-10-8-12(9-15(25-10)20(21,22)23)16-17(13-6-4-5-7-14(13)30-3)27-19(24)29-18(16)26-11(2)28-29;21-20-22-17(11-4-2-1-3-5-11)16(13-8-9-14-15(10-13)25-27-24-14)19-23-18(12-6-7-12)26-28(19)20;1-28-10-15-21-18-16(12-7-8-13-14(9-12)24-26-23-13)17(11-5-3-2-4-6-11)22-19(20)27(18)25-15;1-2-15-21-18-16(12-8-9-13-14(10-12)24-26-23-13)17(11-6-4-3-5-7-11)22-19(20)27(18)25-15;19-18-21-16(10-4-2-1-3-5-10)15(17-20-14(9-27)24-26(17)18)11-6-7-12-13(8-11)23-25-22-12;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/h4-9H,1-3H3,(H2,24,27);1-5,8-10,12H,6-7H2,(H2,21,22)(H,24,25,27);2-9H,10H2,1H3,(H2,20,22)(H,23,24,26);3-10H,2H2,1H3,(H2,20,22)(H,23,24,26);1-8,27H,9H2,(H2,19,21)(H,22,23,25);2-9H,1H3,(H2,19,21)(H,22,23,25)
• InChIKey: AEDKAKSWNZVBJW-UHFFFAOYSA-N
• XLogP: 17.03
• TPSA: 674.03 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 44
• Rotatable Bonds: 18
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2212.31
LogP ≤ 5	17.03
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of [5-amino-8-(2H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-2-cyclopropyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-ethyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-methoxyphenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

The IUPAC name of [5-amino-8-(2H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-2-cyclopropyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-ethyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-methoxyphenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 157086463) is [5-amino-8-(2H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-2-cyclopropyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-ethyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-methoxyphenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

What is the SMILES notation for [5-amino-8-(2H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-2-cyclopropyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-ethyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-methoxyphenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

The canonical SMILES for [5-amino-8-(2H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-2-cyclopropyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-ethyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-methoxyphenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is CCc1nc2c(-c3ccc4n[nH]nc4c3)c(-c3ccccc3)nc(N)n2n1.COCc1nc2c(-c3ccc4n[nH]nc4c3)c(-c3ccccc3)nc(N)n2n1.COc1ccccc1-c1nc(N)n2nc(C)nc2c1-c1cc(C)nc(C(F)(F)F)c1.Cc1nc2c(-c3ccc4n[nH]nc4c3)c(-c3ccccc3)nc(N)n2n1.Nc1nc(-c2ccccc2)c(-c2ccc3n[nH]nc3c2)c2nc(C3CC3)nn12.Nc1nc(-c2ccccc2)c(-c2ccc3n[nH]nc3c2)c2nc(CO)nn12.

What is the InChIKey of [5-amino-8-(2H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-2-cyclopropyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-ethyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-methoxyphenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

The InChIKey is AEDKAKSWNZVBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6O.C20H16N8.C19H16N8O.C19H16N8.C18H14N8O.C18H14N8/c1-10-8-12(9-15(25-10)20(21,22)23)16-17(13-6-4-5-7-14(13)30-3)27-19(24)29-18(16)26-11(2)28-29;21-20-22-17(11-4-2-1-3-5-11)16(13-8-9-14-15(10-13)25-27-24-14)19-23-18(12-6-7-12)26-28(19)20;1-28-10-15-21-18-16(12-7-8-13-14(9-12)24-26-23-13)17(11-5-3-2-4-6-11)22-19(20)27(18)25-15;1-2-15-21-18-16(12-8-9-13-14(10-12)24-26-23-13)17(11-6-4-3-5-7-11)22-19(20)27(18)25-15;19-18-21-16(10-4-2-1-3-5-10)15(17-20-14(9-27)24-26(17)18)11-6-7-12-13(8-11)23-25-22-12;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/h4-9H,1-3H3,(H2,24,27);1-5,8-10,12H,6-7H2,(H2,21,22)(H,24,25,27);2-9H,10H2,1H3,(H2,20,22)(H,23,24,26);3-10H,2H2,1H3,(H2,20,22)(H,23,24,26);1-8,27H,9H2,(H2,19,21)(H,22,23,25);2-9H,1H3,(H2,19,21)(H,22,23,25).

What are the key properties of [5-amino-8-(2H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-2-cyclopropyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-ethyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-methoxyphenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

[5-amino-8-(2H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-2-cyclopropyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-ethyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-methoxyphenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 2212.31 g/mol, XLogP of 17.03, 18 rotatable bonds, 12 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for [5-amino-8-(2H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-2-cyclopropyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-ethyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-methoxyphenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 157086463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).