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

C21H21F2N7O — CID 162722103

IUPAC5-[1-[1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]pentyl]triazol-4-yl]pyridin-2-amine
SMILESCCCCC(c1ccc(-c2nnc(C(F)F)o2)cc1)n1cc(-c2ccc(N)nc2)nn1
InChIInChI=1S/C21H21F2N7O/c1-2-3-4-17(30-12-16(26-29-30)15-9-10-18(24)25-11-15)13-5-7-14(8-6-13)20-27-28-21(31-20)19(22)23/h5-12,17,19H,2-4H2,1H3,(H2,24,25)
InChIKeyVTEGQKHIPAQADG-UHFFFAOYSA-N
MW425.44 g/mol
LogP4.69
Rot. Bonds8

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

5-[1-[1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]pentyl]triazol-4-yl]pyridin-2-amine (PubChem CID 162722103) has the molecular formula C21H21F2N7O and a molecular weight of 425.44 g/mol. Its IUPAC name is 5-[1-[1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]pentyl]triazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[1-[1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]pentyl]triazol-4-yl]pyridin-2-amine
PubChem CID162722103
Molecular FormulaC21H21F2N7O
Molecular Weight425.44 g/mol
Exact Mass425.18
IUPAC Name5-[1-[1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]pentyl]triazol-4-yl]pyridin-2-amine
SMILESCCCCC(c1ccc(-c2nnc(C(F)F)o2)cc1)n1cc(-c2ccc(N)nc2)nn1
InChIInChI=1S/C21H21F2N7O/c1-2-3-4-17(30-12-16(26-29-30)15-9-10-18(24)25-11-15)13-5-7-14(8-6-13)20-27-28-21(31-20)19(22)23/h5-12,17,19H,2-4H2,1H3,(H2,24,25)
InChIKeyVTEGQKHIPAQADG-UHFFFAOYSA-N
XLogP4.69
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]pentyl]triazol-4-yl]pyridin-2-amine?
The IUPAC name of 5-[1-[1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]pentyl]triazol-4-yl]pyridin-2-amine (CID 162722103) is 5-[1-[1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]pentyl]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]pentyl]triazol-4-yl]pyridin-2-amine?
The canonical SMILES for 5-[1-[1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]pentyl]triazol-4-yl]pyridin-2-amine is CCCCC(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]pentyl]triazol-4-yl]pyridin-2-amine?
The InChIKey is VTEGQKHIPAQADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N7O/c1-2-3-4-17(30-12-16(26-29-30)15-9-10-18(24)25-11-15)13-5-7-14(8-6-13)20-27-28-21(31-20)19(22)23/h5-12,17,19H,2-4H2,1H3,(H2,24,25).
What are the key properties of 5-[1-[1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]pentyl]triazol-4-yl]pyridin-2-amine?
5-[1-[1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]pentyl]triazol-4-yl]pyridin-2-amine has a molecular weight of 425.44 g/mol, XLogP of 4.69, 8 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]pentyl]triazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 162722103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).