3-(5-fluoro-2-methoxyphenyl)-1-methyl-1,2,4-triazole

C10H10FN3O — CID 166492561

IUPAC3-(5-fluoro-2-methoxyphenyl)-1-methyl-1,2,4-triazole
SMILESCOc1ccc(F)cc1-c1ncn(C)n1
InChIInChI=1S/C10H10FN3O/c1-14-6-12-10(13-14)8-5-7(11)3-4-9(8)15-2/h3-6H,1-2H3
InChIKeyLAVSILALIJXDEV-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.63
Rot. Bonds2

About 3-(5-fluoro-2-methoxyphenyl)-1-methyl-1,2,4-triazole

3-(5-fluoro-2-methoxyphenyl)-1-methyl-1,2,4-triazole (PubChem CID 166492561) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 3-(5-fluoro-2-methoxyphenyl)-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(5-fluoro-2-methoxyphenyl)-1-methyl-1,2,4-triazole
PubChem CID166492561
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name3-(5-fluoro-2-methoxyphenyl)-1-methyl-1,2,4-triazole
SMILESCOc1ccc(F)cc1-c1ncn(C)n1
InChIInChI=1S/C10H10FN3O/c1-14-6-12-10(13-14)8-5-7(11)3-4-9(8)15-2/h3-6H,1-2H3
InChIKeyLAVSILALIJXDEV-UHFFFAOYSA-N
XLogP1.63
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole
CID 4984858
2-(5-fluoro-2-methoxyphenyl)-1H-imidazole
CID 55254368
4-(5-fluoro-2-methoxyphenyl)pyrimidine
CID 141365926
2-chloro-5-(5-fluoro-2-methoxyphenyl)pyridine
CID 154604158
5-(5-fluoro-2-methoxyphenyl)-3-methyl-1,2-oxazole
CID 116868898
4-(5-fluoro-2-methoxyphenyl)imidazole-1,2-diamine
CID 82286848
3-(5-fluoro-2-methoxyphenyl)-7-methylimidazo[1,5-a]pyridine
CID 166372256
[4-(5-fluoro-2-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine
CID 82480164
4-(5-fluoro-2-methoxyphenyl)-6-methylpyrimidin-5-amine
CID 82390103
5-chloro-2-(5-fluoro-2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridine
CID 163252489
5-amino-4-(5-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 82091667
[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]methanamine
CID 82472973

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methoxyphenyl)-1-methyl-1,2,4-triazole?
The IUPAC name of 3-(5-fluoro-2-methoxyphenyl)-1-methyl-1,2,4-triazole (CID 166492561) is 3-(5-fluoro-2-methoxyphenyl)-1-methyl-1,2,4-triazole.
What is the SMILES notation for 3-(5-fluoro-2-methoxyphenyl)-1-methyl-1,2,4-triazole?
The canonical SMILES for 3-(5-fluoro-2-methoxyphenyl)-1-methyl-1,2,4-triazole is COc1ccc(F)cc1-c1ncn(C)n1.
What is the InChIKey of 3-(5-fluoro-2-methoxyphenyl)-1-methyl-1,2,4-triazole?
The InChIKey is LAVSILALIJXDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c1-14-6-12-10(13-14)8-5-7(11)3-4-9(8)15-2/h3-6H,1-2H3.
What are the key properties of 3-(5-fluoro-2-methoxyphenyl)-1-methyl-1,2,4-triazole?
3-(5-fluoro-2-methoxyphenyl)-1-methyl-1,2,4-triazole has a molecular weight of 207.21 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methoxyphenyl)-1-methyl-1,2,4-triazole is sourced from PubChem (CID 166492561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).