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

C12H13F2N3O2 — CID 157012483

IUPAC3-(3,5-difluoro-2-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole
SMILESCOCc1nc(-c2cc(F)cc(F)c2OC)nn1C
InChIInChI=1S/C12H13F2N3O2/c1-17-10(6-18-2)15-12(16-17)8-4-7(13)5-9(14)11(8)19-3/h4-5H,6H2,1-3H3
InChIKeyKKGYDDKQADOXLB-UHFFFAOYSA-N
MW269.25 g/mol
LogP1.92
Rot. Bonds4

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

3-(3,5-difluoro-2-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole (PubChem CID 157012483) has the molecular formula C12H13F2N3O2 and a molecular weight of 269.25 g/mol. Its IUPAC name is 3-(3,5-difluoro-2-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(3,5-difluoro-2-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole
PubChem CID157012483
Molecular FormulaC12H13F2N3O2
Molecular Weight269.25 g/mol
Exact Mass269.10
IUPAC Name3-(3,5-difluoro-2-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole
SMILESCOCc1nc(-c2cc(F)cc(F)c2OC)nn1C
InChIInChI=1S/C12H13F2N3O2/c1-17-10(6-18-2)15-12(16-17)8-4-7(13)5-9(14)11(8)19-3/h4-5H,6H2,1-3H3
InChIKeyKKGYDDKQADOXLB-UHFFFAOYSA-N
XLogP1.92
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3,5-difluoro-2-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-fluoro-5-methylphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole
CID 157017885
3-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole
CID 157013961
3-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117416917
2-[5-(2-methoxy-3,5-dimethylphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82484719
2-methoxy-5-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyridine
CID 157019727
3-(2,3-dihydro-1-benzofuran-7-yl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole
CID 157016449
5-fluoro-2-methoxy-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]aniline
CID 168873817
5-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyridin-2-amine
CID 157011768
5-(methoxymethyl)-1-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]-1,2,4-triazole
CID 157011839
CID 21097811
CID 21097811
4-[[3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]morpholine
CID 157011278
5-(3,5-difluoro-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 117322792

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluoro-2-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole?
The IUPAC name of 3-(3,5-difluoro-2-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole (CID 157012483) is 3-(3,5-difluoro-2-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole.
What is the SMILES notation for 3-(3,5-difluoro-2-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole?
The canonical SMILES for 3-(3,5-difluoro-2-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole is COCc1nc(-c2cc(F)cc(F)c2OC)nn1C.
What is the InChIKey of 3-(3,5-difluoro-2-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole?
The InChIKey is KKGYDDKQADOXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O2/c1-17-10(6-18-2)15-12(16-17)8-4-7(13)5-9(14)11(8)19-3/h4-5H,6H2,1-3H3.
What are the key properties of 3-(3,5-difluoro-2-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole?
3-(3,5-difluoro-2-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole has a molecular weight of 269.25 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluoro-2-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole is sourced from PubChem (CID 157012483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).