5-[1-[1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]ethyl]triazol-4-yl]pyridin-2-amine

C17H14F2N8O — CID 162722116

About 5-[1-[1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]ethyl]triazol-4-yl]pyridin-2-amine

5-[1-[1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]ethyl]triazol-4-yl]pyridin-2-amine (PubChem CID 162722116) has the molecular formula C17H14F2N8O and a molecular weight of 384.35 g/mol. Its IUPAC name is 5-[1-[1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]ethyl]triazol-4-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[1-[1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]ethyl]triazol-4-yl]pyridin-2-amine
• PubChem CID: 162722116
• Molecular Formula: C17H14F2N8O
• Molecular Weight: 384.35 g/mol
• Exact Mass: 384.13
• IUPAC Name: 5-[1-[1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]ethyl]triazol-4-yl]pyridin-2-amine
• SMILES: CC(c1ccc(-c2nnc(C(F)F)o2)cn1)n1cc(-c2ccc(N)nc2)nn1
• InChI: InChI=1S/C17H14F2N8O/c1-9(27-8-13(23-26-27)10-3-5-14(20)22-6-10)12-4-2-11(7-21-12)16-24-25-17(28-16)15(18)19/h2-9,15H,1H3,(H2,20,22)
• InChIKey: HCSISELBXLMKGH-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 121.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.35
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[1-[1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]ethyl]triazol-4-yl]pyridin-2-amine?

The IUPAC name of 5-[1-[1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]ethyl]triazol-4-yl]pyridin-2-amine (CID 162722116) is 5-[1-[1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]ethyl]triazol-4-yl]pyridin-2-amine.

What is the SMILES notation for 5-[1-[1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]ethyl]triazol-4-yl]pyridin-2-amine?

The canonical SMILES for 5-[1-[1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]ethyl]triazol-4-yl]pyridin-2-amine is CC(c1ccc(-c2nnc(C(F)F)o2)cn1)n1cc(-c2ccc(N)nc2)nn1.

What is the InChIKey of 5-[1-[1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]ethyl]triazol-4-yl]pyridin-2-amine?

The InChIKey is HCSISELBXLMKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N8O/c1-9(27-8-13(23-26-27)10-3-5-14(20)22-6-10)12-4-2-11(7-21-12)16-24-25-17(28-16)15(18)19/h2-9,15H,1H3,(H2,20,22).

What are the key properties of 5-[1-[1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]ethyl]triazol-4-yl]pyridin-2-amine?

5-[1-[1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]ethyl]triazol-4-yl]pyridin-2-amine has a molecular weight of 384.35 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]ethyl]triazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 162722116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).