2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole

C9H8F3N5O — CID 169164835

IUPAC2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(N2CCc3nc[nH]c3C2)o1
InChIInChI=1S/C9H8F3N5O/c10-9(11,12)7-15-16-8(18-7)17-2-1-5-6(3-17)14-4-13-5/h4H,1-3H2,(H,13,14)
InChIKeySCHZBOZHHFBGLY-UHFFFAOYSA-N
MW259.19 g/mol
LogP1.37
Rot. Bonds1

About 2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole

2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 169164835) has the molecular formula C9H8F3N5O and a molecular weight of 259.19 g/mol. Its IUPAC name is 2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID169164835
Molecular FormulaC9H8F3N5O
Molecular Weight259.19 g/mol
Exact Mass259.07
IUPAC Name2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(N2CCc3nc[nH]c3C2)o1
InChIInChI=1S/C9H8F3N5O/c10-9(11,12)7-15-16-8(18-7)17-2-1-5-6(3-17)14-4-13-5/h4H,1-3H2,(H,13,14)
InChIKeySCHZBOZHHFBGLY-UHFFFAOYSA-N
XLogP1.37
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 169164835) is 2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole is FC(F)(F)c1nnc(N2CCc3nc[nH]c3C2)o1.
What is the InChIKey of 2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is SCHZBOZHHFBGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5O/c10-9(11,12)7-15-16-8(18-7)17-2-1-5-6(3-17)14-4-13-5/h4H,1-3H2,(H,13,14).
What are the key properties of 2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 259.19 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 169164835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).