4-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-methylbutan-2-ol

C20H22ClN3O — CID 42634802

About 4-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-methylbutan-2-ol

4-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-methylbutan-2-ol (PubChem CID 42634802) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 4-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-methylbutan-2-ol.

Molecular Properties

• Compound Name: 4-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-methylbutan-2-ol
• PubChem CID: 42634802
• Molecular Formula: C20H22ClN3O
• Molecular Weight: 355.87 g/mol
• Exact Mass: 355.15
• IUPAC Name: 4-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-methylbutan-2-ol
• SMILES: CC(C)(O)CCc1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12
• InChI: InChI=1S/C20H22ClN3O/c1-19(2,25)10-9-14-4-3-13-24-17(14)22-23-18(24)20(11-12-20)15-5-7-16(21)8-6-15/h3-8,13,25H,9-12H2,1-2H3
• InChIKey: YPSWZIMENUQPDQ-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 50.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.87
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-methylbutan-2-ol?

The IUPAC name of 4-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-methylbutan-2-ol (CID 42634802) is 4-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-methylbutan-2-ol.

What is the SMILES notation for 4-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-methylbutan-2-ol?

The canonical SMILES for 4-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-methylbutan-2-ol is CC(C)(O)CCc1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12.

What is the InChIKey of 4-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-methylbutan-2-ol?

The InChIKey is YPSWZIMENUQPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c1-19(2,25)10-9-14-4-3-13-24-17(14)22-23-18(24)20(11-12-20)15-5-7-16(21)8-6-15/h3-8,13,25H,9-12H2,1-2H3.

What are the key properties of 4-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-methylbutan-2-ol?

4-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-methylbutan-2-ol has a molecular weight of 355.87 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 42634802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).