5-(5-methoxyfuran-2-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole

C10H10F3N3O2 — CID 72877686

IUPAC5-(5-methoxyfuran-2-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESCOc1ccc(-c2nc(C)nn2CC(F)(F)F)o1
InChIInChI=1S/C10H10F3N3O2/c1-6-14-9(7-3-4-8(17-2)18-7)16(15-6)5-10(11,12)13/h3-4H,5H2,1-2H3
InChIKeyGAOJNAVFYHZTJJ-UHFFFAOYSA-N
MW261.20 g/mol
LogP2.42
Rot. Bonds3

About 5-(5-methoxyfuran-2-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole

5-(5-methoxyfuran-2-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole (PubChem CID 72877686) has the molecular formula C10H10F3N3O2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 5-(5-methoxyfuran-2-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-(5-methoxyfuran-2-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
PubChem CID72877686
Molecular FormulaC10H10F3N3O2
Molecular Weight261.20 g/mol
Exact Mass261.07
IUPAC Name5-(5-methoxyfuran-2-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESCOc1ccc(-c2nc(C)nn2CC(F)(F)F)o1
InChIInChI=1S/C10H10F3N3O2/c1-6-14-9(7-3-4-8(17-2)18-7)16(15-6)5-10(11,12)13/h3-4H,5H2,1-2H3
InChIKeyGAOJNAVFYHZTJJ-UHFFFAOYSA-N
XLogP2.42
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-2-methyl-4-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine
CID 146042267
5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 146045366
3-methyl-5-(phenylmethoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 131904787
N-ethyl-4-methyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine
CID 131938825
2-[5-[5-[(dimethylamino)methyl]furan-2-yl]-3-methyl-1,2,4-triazol-1-yl]acetic acid
CID 72895955
3-cyclopropyl-5-(2,6-difluoro-3-methylphenyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 72929684
5-(4-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazole
CID 146168552
5-(4-fluorophenyl)-3-[3-(4-methoxyphenoxy)propyl]-1,3,4-oxadiazol-2-one
CID 24599512
N-[(3,4-dimethylphenyl)methyl]-4-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-9-oxa-3,6,13-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,10,12-pentaen-12-amine
CID 58204558
3-bromo-5-methyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 66509429
2-[4-bromo-3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]oxy-1,3-benzoxazole
CID 141411607
4-fluoro-3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 141179063

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxyfuran-2-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The IUPAC name of 5-(5-methoxyfuran-2-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole (CID 72877686) is 5-(5-methoxyfuran-2-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole.
What is the SMILES notation for 5-(5-methoxyfuran-2-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The canonical SMILES for 5-(5-methoxyfuran-2-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole is COc1ccc(-c2nc(C)nn2CC(F)(F)F)o1.
What is the InChIKey of 5-(5-methoxyfuran-2-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The InChIKey is GAOJNAVFYHZTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O2/c1-6-14-9(7-3-4-8(17-2)18-7)16(15-6)5-10(11,12)13/h3-4H,5H2,1-2H3.
What are the key properties of 5-(5-methoxyfuran-2-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
5-(5-methoxyfuran-2-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole has a molecular weight of 261.20 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxyfuran-2-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole is sourced from PubChem (CID 72877686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).