2-(3-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

C₃₀H₃₆N₆O₂ — CID 158727695

About 2-(3-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-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 (PubChem CID 158727695) has the molecular formula C₃₀H₃₆N₆O₂ and a molecular weight of 512.66 g/mol. Its IUPAC name is 2-(3-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.

Molecular Properties

• Compound Name: 2-(3-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
• PubChem CID: 158727695
• Molecular Formula: C₃₀H₃₆N₆O₂
• Molecular Weight: 512.66 g/mol
• Exact Mass: 512.29
• IUPAC Name: 2-(3-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
• SMILES: CC(C)(O)c1cccn2c(C3CC3)nnc12.Cc1ccc(C(C)(C)c2nnc3c(C(C)O)cccn23)cc1
• InChI: InChI=1S/C18H21N3O.C12H15N3O/c1-12-7-9-14(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/h5-11,13,22H,1-4H3;3-4,7-8,16H,5-6H2,1-2H3
• InChIKey: IKSFSZZAQPXTBI-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 100.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.66
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(3-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?

The IUPAC name of 2-(3-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 (CID 158727695) is 2-(3-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.

What is the SMILES notation for 2-(3-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?

The canonical SMILES for 2-(3-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 is CC(C)(O)c1cccn2c(C3CC3)nnc12.Cc1ccc(C(C)(C)c2nnc3c(C(C)O)cccn23)cc1.

What is the InChIKey of 2-(3-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?

The InChIKey is IKSFSZZAQPXTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O.C12H15N3O/c1-12-7-9-14(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/h5-11,13,22H,1-4H3;3-4,7-8,16H,5-6H2,1-2H3.

What are the key properties of 2-(3-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-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 has a molecular weight of 512.66 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-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 is sourced from PubChem (CID 158727695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158727695 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.