5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole

C11H12F3N5O — CID 79954401

IUPAC5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
SMILESFC(F)(F)CCc1noc(C2Cc3nc[nH]c3CN2)n1
InChIInChI=1S/C11H12F3N5O/c12-11(13,14)2-1-9-18-10(20-19-9)7-3-6-8(4-15-7)17-5-16-6/h5,7,15H,1-4H2,(H,16,17)
InChIKeyZDNKHQLFXOHMJP-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.67
Rot. Bonds3

About 5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole

5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole (PubChem CID 79954401) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is 5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
PubChem CID79954401
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC Name5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
SMILESFC(F)(F)CCc1noc(C2Cc3nc[nH]c3CN2)n1
InChIInChI=1S/C11H12F3N5O/c12-11(13,14)2-1-9-18-10(20-19-9)7-3-6-8(4-15-7)17-5-16-6/h5,7,15H,1-4H2,(H,16,17)
InChIKeyZDNKHQLFXOHMJP-UHFFFAOYSA-N
XLogP1.67
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole (CID 79954401) is 5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole is FC(F)(F)CCc1noc(C2Cc3nc[nH]c3CN2)n1.
What is the InChIKey of 5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
The InChIKey is ZDNKHQLFXOHMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c12-11(13,14)2-1-9-18-10(20-19-9)7-3-6-8(4-15-7)17-5-16-6/h5,7,15H,1-4H2,(H,16,17).
What are the key properties of 5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole has a molecular weight of 287.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 79954401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).