2-[3-[1-(1-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propan-2-ol;2-[3-[1-[2-[(4-methylphenyl)methyl]tetrazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;1-[3-[2-(4-methylphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanol;2-[3-[1-(5-phenyl-1,3-oxazol-2-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol

C92H100N24O6 — CID 157475709

About 2-[3-[1-(1-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propan-2-ol;2-[3-[1-[2-[(4-methylphenyl)methyl]tetrazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;1-[3-[2-(4-methylphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanol;2-[3-[1-(5-phenyl-1,3-oxazol-2-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol

2-[3-[1-(1-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propan-2-ol;2-[3-[1-[2-[(4-methylphenyl)methyl]tetrazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;1-[3-[2-(4-methylphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanol;2-[3-[1-(5-phenyl-1,3-oxazol-2-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (PubChem CID 157475709) has the molecular formula C92H100N24O6 and a molecular weight of 1637.97 g/mol. Its IUPAC name is 2-[3-[1-(1-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propan-2-ol;2-[3-[1-[2-[(4-methylphenyl)methyl]tetrazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;1-[3-[2-(4-methylphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanol;2-[3-[1-(5-phenyl-1,3-oxazol-2-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[3-[1-(1-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propan-2-ol;2-[3-[1-[2-[(4-methylphenyl)methyl]tetrazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;1-[3-[2-(4-methylphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanol;2-[3-[1-(5-phenyl-1,3-oxazol-2-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
• PubChem CID: 157475709
• Molecular Formula: C92H100N24O6
• Molecular Weight: 1637.97 g/mol
• Exact Mass: 1636.83
• IUPAC Name: 2-[3-[1-(1-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propan-2-ol;2-[3-[1-[2-[(4-methylphenyl)methyl]tetrazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;1-[3-[2-(4-methylphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanol;2-[3-[1-(5-phenyl-1,3-oxazol-2-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
• SMILES: CC(C)(O)c1cccn2c(C3(c4ncc(-c5ccccc5)o4)CC3)nnc12.CC(C)(O)c1cccn2c(C3(c4nnnn4Cc4ccccc4)CC3)nnc12.CC(C)(O)c1cccn2c(C3CC3)nnc12.Cc1ccc(C(C)(C)c2nnc3c(C(C)O)cccn23)cc1.Cc1ccc(Cn2nnc(C3(c4nnc5c(C(C)(C)O)cccn45)CC3)n2)cc1
• InChI: InChI=1S/C21H23N7O.C21H20N4O2.C20H21N7O.C18H21N3O.C12H15N3O/c1-14-6-8-15(9-7-14)13-28-25-18(23-26-28)21(10-11-21)19-24-22-17-16(20(2,3)29)5-4-12-27(17)19;1-20(2,26)15-9-6-12-25-17(15)23-24-18(25)21(10-11-21)19-22-13-16(27-19)14-7-4-3-5-8-14;1-19(2,28)15-9-6-12-26-16(15)21-22-17(26)20(10-11-20)18-23-24-25-27(18)13-14-7-4-3-5-8-14;1-12-7-9-14(10-8-12)18(3,4)17-20-19-16-15(13(2)22)6-5-11-21(16)17;1-12(2,16)9-4-3-7-15-10(8-5-6-8)13-14-11(9)15/h4-9,12,29H,10-11,13H2,1-3H3;3-9,12-13,26H,10-11H2,1-2H3;3-9,12,28H,10-11,13H2,1-2H3;5-11,13,22H,1-4H3;3-4,7-8,16H,5-6H2,1-2H3
• InChIKey: BVOKTCGCTDYEIM-UHFFFAOYSA-N
• XLogP: 13.39
• TPSA: 365.33 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1637.97
LogP ≤ 5	13.39
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(1-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propan-2-ol;2-[3-[1-[2-[(4-methylphenyl)methyl]tetrazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;1-[3-[2-(4-methylphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanol;2-[3-[1-(5-phenyl-1,3-oxazol-2-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?

The IUPAC name of 2-[3-[1-(1-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propan-2-ol;2-[3-[1-[2-[(4-methylphenyl)methyl]tetrazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;1-[3-[2-(4-methylphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanol;2-[3-[1-(5-phenyl-1,3-oxazol-2-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (CID 157475709) is 2-[3-[1-(1-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propan-2-ol;2-[3-[1-[2-[(4-methylphenyl)methyl]tetrazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;1-[3-[2-(4-methylphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanol;2-[3-[1-(5-phenyl-1,3-oxazol-2-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol.

What is the SMILES notation for 2-[3-[1-(1-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propan-2-ol;2-[3-[1-[2-[(4-methylphenyl)methyl]tetrazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;1-[3-[2-(4-methylphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanol;2-[3-[1-(5-phenyl-1,3-oxazol-2-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?

The canonical SMILES for 2-[3-[1-(1-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propan-2-ol;2-[3-[1-[2-[(4-methylphenyl)methyl]tetrazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;1-[3-[2-(4-methylphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanol;2-[3-[1-(5-phenyl-1,3-oxazol-2-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol is CC(C)(O)c1cccn2c(C3(c4ncc(-c5ccccc5)o4)CC3)nnc12.CC(C)(O)c1cccn2c(C3(c4nnnn4Cc4ccccc4)CC3)nnc12.CC(C)(O)c1cccn2c(C3CC3)nnc12.Cc1ccc(C(C)(C)c2nnc3c(C(C)O)cccn23)cc1.Cc1ccc(Cn2nnc(C3(c4nnc5c(C(C)(C)O)cccn45)CC3)n2)cc1.

What is the InChIKey of 2-[3-[1-(1-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propan-2-ol;2-[3-[1-[2-[(4-methylphenyl)methyl]tetrazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;1-[3-[2-(4-methylphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanol;2-[3-[1-(5-phenyl-1,3-oxazol-2-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?

The InChIKey is BVOKTCGCTDYEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O.C21H20N4O2.C20H21N7O.C18H21N3O.C12H15N3O/c1-14-6-8-15(9-7-14)13-28-25-18(23-26-28)21(10-11-21)19-24-22-17-16(20(2,3)29)5-4-12-27(17)19;1-20(2,26)15-9-6-12-25-17(15)23-24-18(25)21(10-11-21)19-22-13-16(27-19)14-7-4-3-5-8-14;1-19(2,28)15-9-6-12-26-16(15)21-22-17(26)20(10-11-20)18-23-24-25-27(18)13-14-7-4-3-5-8-14;1-12-7-9-14(10-8-12)18(3,4)17-20-19-16-15(13(2)22)6-5-11-21(16)17;1-12(2,16)9-4-3-7-15-10(8-5-6-8)13-14-11(9)15/h4-9,12,29H,10-11,13H2,1-3H3;3-9,12-13,26H,10-11H2,1-2H3;3-9,12,28H,10-11,13H2,1-2H3;5-11,13,22H,1-4H3;3-4,7-8,16H,5-6H2,1-2H3.

What are the key properties of 2-[3-[1-(1-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propan-2-ol;2-[3-[1-[2-[(4-methylphenyl)methyl]tetrazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;1-[3-[2-(4-methylphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanol;2-[3-[1-(5-phenyl-1,3-oxazol-2-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?

2-[3-[1-(1-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propan-2-ol;2-[3-[1-[2-[(4-methylphenyl)methyl]tetrazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;1-[3-[2-(4-methylphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanol;2-[3-[1-(5-phenyl-1,3-oxazol-2-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol has a molecular weight of 1637.97 g/mol, XLogP of 13.39, 19 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[1-(1-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propan-2-ol;2-[3-[1-[2-[(4-methylphenyl)methyl]tetrazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;1-[3-[2-(4-methylphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanol;2-[3-[1-(5-phenyl-1,3-oxazol-2-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol is sourced from PubChem (CID 157475709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).