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

C9H8F3N5O — CID 82008381

IUPAC5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1noc(C2Cc3nc[nH]c3CN2)n1
InChIInChI=1S/C9H8F3N5O/c10-9(11,12)8-16-7(18-17-8)5-1-4-6(2-13-5)15-3-14-4/h3,5,13H,1-2H2,(H,14,15)
InChIKeyJNFNTNBRYCTLBM-UHFFFAOYSA-N
MW259.19 g/mol
LogP1.20
Rot. Bonds1

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

5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 82008381) has the molecular formula C9H8F3N5O and a molecular weight of 259.19 g/mol. Its IUPAC name is 5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID82008381
Molecular FormulaC9H8F3N5O
Molecular Weight259.19 g/mol
Exact Mass259.07
IUPAC Name5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1noc(C2Cc3nc[nH]c3CN2)n1
InChIInChI=1S/C9H8F3N5O/c10-9(11,12)8-16-7(18-17-8)5-1-4-6(2-13-5)15-3-14-4/h3,5,13H,1-2H2,(H,14,15)
InChIKeyJNFNTNBRYCTLBM-UHFFFAOYSA-N
XLogP1.20
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 51.20
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-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole (CID 82008381) is 5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(trifluoromethyl)-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-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole is FC(F)(F)c1noc(C2Cc3nc[nH]c3CN2)n1.
What is the InChIKey of 5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is JNFNTNBRYCTLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5O/c10-9(11,12)8-16-7(18-17-8)5-1-4-6(2-13-5)15-3-14-4/h3,5,13H,1-2H2,(H,14,15).
What are the key properties of 5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 259.19 g/mol, XLogP of 1.20, 1 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-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 82008381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).