4-[5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine

C11H11F3N4O — CID 72876499

IUPAC4-[5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine
SMILESCOCc1nc(-c2ccncc2)nn1CC(F)(F)F
InChIInChI=1S/C11H11F3N4O/c1-19-6-9-16-10(8-2-4-15-5-3-8)17-18(9)7-11(12,13)14/h2-5H,6-7H2,1H3
InChIKeyFBQONQPDJGGVOG-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.05
Rot. Bonds4

About 4-[5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine

4-[5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine (PubChem CID 72876499) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is 4-[5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine
PubChem CID72876499
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC Name4-[5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine
SMILESCOCc1nc(-c2ccncc2)nn1CC(F)(F)F
InChIInChI=1S/C11H11F3N4O/c1-19-6-9-16-10(8-2-4-15-5-3-8)17-18(9)7-11(12,13)14/h2-5H,6-7H2,1H3
InChIKeyFBQONQPDJGGVOG-UHFFFAOYSA-N
XLogP2.05
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 4-[5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine (CID 72876499) is 4-[5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 4-[5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 4-[5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine is COCc1nc(-c2ccncc2)nn1CC(F)(F)F.
What is the InChIKey of 4-[5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine?
The InChIKey is FBQONQPDJGGVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O/c1-19-6-9-16-10(8-2-4-15-5-3-8)17-18(9)7-11(12,13)14/h2-5H,6-7H2,1H3.
What are the key properties of 4-[5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine?
4-[5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine has a molecular weight of 272.23 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 72876499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).