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

C17H13F2N7O — CID 162722443

IUPAC5-[4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-1-yl]pyridin-2-amine
SMILESNc1ccc(-n2cc(Cc3ccc(-c4nnc(C(F)F)o4)cc3)nn2)cn1
InChIInChI=1S/C17H13F2N7O/c18-15(19)17-24-23-16(27-17)11-3-1-10(2-4-11)7-12-9-26(25-22-12)13-5-6-14(20)21-8-13/h1-6,8-9,15H,7H2,(H2,20,21)
InChIKeyMKBRNJCXFBPZEV-UHFFFAOYSA-N
MW369.34 g/mol
LogP2.82
Rot. Bonds5

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

5-[4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-1-yl]pyridin-2-amine (PubChem CID 162722443) has the molecular formula C17H13F2N7O and a molecular weight of 369.34 g/mol. Its IUPAC name is 5-[4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-1-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-1-yl]pyridin-2-amine
PubChem CID162722443
Molecular FormulaC17H13F2N7O
Molecular Weight369.34 g/mol
Exact Mass369.11
IUPAC Name5-[4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-1-yl]pyridin-2-amine
SMILESNc1ccc(-n2cc(Cc3ccc(-c4nnc(C(F)F)o4)cc3)nn2)cn1
InChIInChI=1S/C17H13F2N7O/c18-15(19)17-24-23-16(27-17)11-3-1-10(2-4-11)7-12-9-26(25-22-12)13-5-6-14(20)21-8-13/h1-6,8-9,15H,7H2,(H2,20,21)
InChIKeyMKBRNJCXFBPZEV-UHFFFAOYSA-N
XLogP2.82
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-1-yl]pyridin-2-amine?
The IUPAC name of 5-[4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-1-yl]pyridin-2-amine (CID 162722443) is 5-[4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-1-yl]pyridin-2-amine.
What is the SMILES notation for 5-[4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-1-yl]pyridin-2-amine?
The canonical SMILES for 5-[4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-1-yl]pyridin-2-amine is Nc1ccc(-n2cc(Cc3ccc(-c4nnc(C(F)F)o4)cc3)nn2)cn1.
What is the InChIKey of 5-[4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-1-yl]pyridin-2-amine?
The InChIKey is MKBRNJCXFBPZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N7O/c18-15(19)17-24-23-16(27-17)11-3-1-10(2-4-11)7-12-9-26(25-22-12)13-5-6-14(20)21-8-13/h1-6,8-9,15H,7H2,(H2,20,21).
What are the key properties of 5-[4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-1-yl]pyridin-2-amine?
5-[4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-1-yl]pyridin-2-amine has a molecular weight of 369.34 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-1-yl]pyridin-2-amine is sourced from PubChem (CID 162722443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).