3-(oxetan-2-ylmethyl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridine

C13H11F3N6O — CID 175727232

IUPAC3-(oxetan-2-ylmethyl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridine
SMILESFC(F)(F)c1nc(-c2cc3ncn(CC4CCO4)c3cn2)n[nH]1
InChIInChI=1S/C13H11F3N6O/c14-13(15,16)12-19-11(20-21-12)9-3-8-10(4-17-9)22(6-18-8)5-7-1-2-23-7/h3-4,6-7H,1-2,5H2,(H,19,20,21)
InChIKeyIBEGIQOBVXOMAK-UHFFFAOYSA-N
MW324.27 g/mol
LogP2.02
Rot. Bonds3

About 3-(oxetan-2-ylmethyl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridine

3-(oxetan-2-ylmethyl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridine (PubChem CID 175727232) has the molecular formula C13H11F3N6O and a molecular weight of 324.27 g/mol. Its IUPAC name is 3-(oxetan-2-ylmethyl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-(oxetan-2-ylmethyl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridine
PubChem CID175727232
Molecular FormulaC13H11F3N6O
Molecular Weight324.27 g/mol
Exact Mass324.09
IUPAC Name3-(oxetan-2-ylmethyl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridine
SMILESFC(F)(F)c1nc(-c2cc3ncn(CC4CCO4)c3cn2)n[nH]1
InChIInChI=1S/C13H11F3N6O/c14-13(15,16)12-19-11(20-21-12)9-3-8-10(4-17-9)22(6-18-8)5-7-1-2-23-7/h3-4,6-7H,1-2,5H2,(H,19,20,21)
InChIKeyIBEGIQOBVXOMAK-UHFFFAOYSA-N
XLogP2.02
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(oxetan-2-ylmethyl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridine?
The IUPAC name of 3-(oxetan-2-ylmethyl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridine (CID 175727232) is 3-(oxetan-2-ylmethyl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-(oxetan-2-ylmethyl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridine?
The canonical SMILES for 3-(oxetan-2-ylmethyl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridine is FC(F)(F)c1nc(-c2cc3ncn(CC4CCO4)c3cn2)n[nH]1.
What is the InChIKey of 3-(oxetan-2-ylmethyl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridine?
The InChIKey is IBEGIQOBVXOMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N6O/c14-13(15,16)12-19-11(20-21-12)9-3-8-10(4-17-9)22(6-18-8)5-7-1-2-23-7/h3-4,6-7H,1-2,5H2,(H,19,20,21).
What are the key properties of 3-(oxetan-2-ylmethyl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridine?
3-(oxetan-2-ylmethyl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridine has a molecular weight of 324.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxetan-2-ylmethyl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 175727232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).