5-[(5-fluoro-2-methylphenoxy)methyl]-1-methyl-1,2,4-triazole

C11H12FN3O — CID 91651257

IUPAC5-[(5-fluoro-2-methylphenoxy)methyl]-1-methyl-1,2,4-triazole
SMILESCc1ccc(F)cc1OCc1ncnn1C
InChIInChI=1S/C11H12FN3O/c1-8-3-4-9(12)5-10(8)16-6-11-13-7-14-15(11)2/h3-5,7H,6H2,1-2H3
InChIKeyPQZQSCJPGPIVCR-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.84
Rot. Bonds3

About 5-[(5-fluoro-2-methylphenoxy)methyl]-1-methyl-1,2,4-triazole

5-[(5-fluoro-2-methylphenoxy)methyl]-1-methyl-1,2,4-triazole (PubChem CID 91651257) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 5-[(5-fluoro-2-methylphenoxy)methyl]-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name5-[(5-fluoro-2-methylphenoxy)methyl]-1-methyl-1,2,4-triazole
PubChem CID91651257
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name5-[(5-fluoro-2-methylphenoxy)methyl]-1-methyl-1,2,4-triazole
SMILESCc1ccc(F)cc1OCc1ncnn1C
InChIInChI=1S/C11H12FN3O/c1-8-3-4-9(12)5-10(8)16-6-11-13-7-14-15(11)2/h3-5,7H,6H2,1-2H3
InChIKeyPQZQSCJPGPIVCR-UHFFFAOYSA-N
XLogP1.84
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2-methylphenoxy)methyl]-1-methyl-1,2,4-triazole?
The IUPAC name of 5-[(5-fluoro-2-methylphenoxy)methyl]-1-methyl-1,2,4-triazole (CID 91651257) is 5-[(5-fluoro-2-methylphenoxy)methyl]-1-methyl-1,2,4-triazole.
What is the SMILES notation for 5-[(5-fluoro-2-methylphenoxy)methyl]-1-methyl-1,2,4-triazole?
The canonical SMILES for 5-[(5-fluoro-2-methylphenoxy)methyl]-1-methyl-1,2,4-triazole is Cc1ccc(F)cc1OCc1ncnn1C.
What is the InChIKey of 5-[(5-fluoro-2-methylphenoxy)methyl]-1-methyl-1,2,4-triazole?
The InChIKey is PQZQSCJPGPIVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-8-3-4-9(12)5-10(8)16-6-11-13-7-14-15(11)2/h3-5,7H,6H2,1-2H3.
What are the key properties of 5-[(5-fluoro-2-methylphenoxy)methyl]-1-methyl-1,2,4-triazole?
5-[(5-fluoro-2-methylphenoxy)methyl]-1-methyl-1,2,4-triazole has a molecular weight of 221.24 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2-methylphenoxy)methyl]-1-methyl-1,2,4-triazole is sourced from PubChem (CID 91651257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).