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

C19H17F2N7O — CID 162722536

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

5-[1-[1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]propyl]triazol-4-yl]pyridin-2-amine (PubChem CID 162722536) has the molecular formula C19H17F2N7O and a molecular weight of 397.39 g/mol. Its IUPAC name is 5-[1-[1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]propyl]triazol-4-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[1-[1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]propyl]triazol-4-yl]pyridin-2-amine
• PubChem CID: 162722536
• Molecular Formula: C19H17F2N7O
• Molecular Weight: 397.39 g/mol
• Exact Mass: 397.15
• IUPAC Name: 5-[1-[1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]propyl]triazol-4-yl]pyridin-2-amine
• SMILES: CCC(c1ccc(-c2nnc(C(F)F)o2)cc1)n1cc(-c2ccc(N)nc2)nn1
• InChI: InChI=1S/C19H17F2N7O/c1-2-15(28-10-14(24-27-28)13-7-8-16(22)23-9-13)11-3-5-12(6-4-11)18-25-26-19(29-18)17(20)21/h3-10,15,17H,2H2,1H3,(H2,22,23)
• InChIKey: DIEVTLQARSVDIS-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 108.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.39
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[1-[1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]propyl]triazol-4-yl]pyridin-2-amine (CID 162722536) is 5-[1-[1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]propyl]triazol-4-yl]pyridin-2-amine.

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

The canonical SMILES for 5-[1-[1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]propyl]triazol-4-yl]pyridin-2-amine is CCC(c1ccc(-c2nnc(C(F)F)o2)cc1)n1cc(-c2ccc(N)nc2)nn1.

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

The InChIKey is DIEVTLQARSVDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N7O/c1-2-15(28-10-14(24-27-28)13-7-8-16(22)23-9-13)11-3-5-12(6-4-11)18-25-26-19(29-18)17(20)21/h3-10,15,17H,2H2,1H3,(H2,22,23).

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

5-[1-[1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]propyl]triazol-4-yl]pyridin-2-amine has a molecular weight of 397.39 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]propyl]triazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 162722536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).