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

C10H10F3N5O — CID 79343804

IUPAC5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)Cc1noc(C2Cc3nc[nH]c3CN2)n1
InChIInChI=1S/C10H10F3N5O/c11-10(12,13)2-8-17-9(19-18-8)6-1-5-7(3-14-6)16-4-15-5/h4,6,14H,1-3H2,(H,15,16)
InChIKeyINXKGXWJVWLDPM-UHFFFAOYSA-N
MW273.22 g/mol
LogP1.28
Rot. Bonds2

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

5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole (PubChem CID 79343804) has the molecular formula C10H10F3N5O and a molecular weight of 273.22 g/mol. Its IUPAC name is 5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
PubChem CID79343804
Molecular FormulaC10H10F3N5O
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC Name5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)Cc1noc(C2Cc3nc[nH]c3CN2)n1
InChIInChI=1S/C10H10F3N5O/c11-10(12,13)2-8-17-9(19-18-8)6-1-5-7(3-14-6)16-4-15-5/h4,6,14H,1-3H2,(H,15,16)
InChIKeyINXKGXWJVWLDPM-UHFFFAOYSA-N
XLogP1.28
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 51.28
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-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole (CID 79343804) is 5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(2,2,2-trifluoroethyl)-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-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole is FC(F)(F)Cc1noc(C2Cc3nc[nH]c3CN2)n1.
What is the InChIKey of 5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The InChIKey is INXKGXWJVWLDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O/c11-10(12,13)2-8-17-9(19-18-8)6-1-5-7(3-14-6)16-4-15-5/h4,6,14H,1-3H2,(H,15,16).
What are the key properties of 5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole has a molecular weight of 273.22 g/mol, XLogP of 1.28, 2 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-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 79343804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).