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

C12H14FN3O — CID 157017885

IUPAC3-(2-fluoro-5-methylphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole
SMILESCOCc1nc(-c2cc(C)ccc2F)nn1C
InChIInChI=1S/C12H14FN3O/c1-8-4-5-10(13)9(6-8)12-14-11(7-17-3)16(2)15-12/h4-6H,7H2,1-3H3
InChIKeyYUTKMNOIVTWRLJ-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.08
Rot. Bonds3

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

3-(2-fluoro-5-methylphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole (PubChem CID 157017885) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 3-(2-fluoro-5-methylphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-fluoro-5-methylphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole
PubChem CID157017885
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name3-(2-fluoro-5-methylphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole
SMILESCOCc1nc(-c2cc(C)ccc2F)nn1C
InChIInChI=1S/C12H14FN3O/c1-8-4-5-10(13)9(6-8)12-14-11(7-17-3)16(2)15-12/h4-6H,7H2,1-3H3
InChIKeyYUTKMNOIVTWRLJ-UHFFFAOYSA-N
XLogP2.08
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-difluoro-2-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole
CID 157012483
3-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole
CID 157013961
2-[5-(2-methoxy-3,5-dimethylphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82484719
3-(2,3-dihydro-1-benzofuran-7-yl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole
CID 157016449
5-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyridin-2-amine
CID 157011768
2-methoxy-5-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyridine
CID 157019727
3-(bromomethyl)-5-(2-fluoro-5-methylphenyl)-4-methyl-1,2,4-triazole
CID 115399976
5-(methoxymethyl)-1-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]-1,2,4-triazole
CID 157011839
5-(methoxymethyl)-1-methyl-3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazole
CID 157016083
3-[5-(2-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]propanoic acid
CID 82480476
4-[[3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]morpholine
CID 157011278
2-(2-fluoro-5-methylphenyl)-4-methylbenzonitrile
CID 172915416

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-methylphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole?
The IUPAC name of 3-(2-fluoro-5-methylphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole (CID 157017885) is 3-(2-fluoro-5-methylphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole.
What is the SMILES notation for 3-(2-fluoro-5-methylphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole?
The canonical SMILES for 3-(2-fluoro-5-methylphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole is COCc1nc(-c2cc(C)ccc2F)nn1C.
What is the InChIKey of 3-(2-fluoro-5-methylphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole?
The InChIKey is YUTKMNOIVTWRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-8-4-5-10(13)9(6-8)12-14-11(7-17-3)16(2)15-12/h4-6H,7H2,1-3H3.
What are the key properties of 3-(2-fluoro-5-methylphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole?
3-(2-fluoro-5-methylphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole has a molecular weight of 235.26 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-methylphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole is sourced from PubChem (CID 157017885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).