3-(2,5-difluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole

C11H11F2N3O — CID 113301014

IUPAC3-(2,5-difluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
SMILESCOCCn1cnnc1-c1cc(F)ccc1F
InChIInChI=1S/C11H11F2N3O/c1-17-5-4-16-7-14-15-11(16)9-6-8(12)2-3-10(9)13/h2-3,6-7H,4-5H2,1H3
InChIKeyTXERAILNAUYOEQ-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.87
Rot. Bonds4

About 3-(2,5-difluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole

3-(2,5-difluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole (PubChem CID 113301014) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
PubChem CID113301014
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name3-(2,5-difluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
SMILESCOCCn1cnnc1-c1cc(F)ccc1F
InChIInChI=1S/C11H11F2N3O/c1-17-5-4-16-7-14-15-11(16)9-6-8(12)2-3-10(9)13/h2-3,6-7H,4-5H2,1H3
InChIKeyTXERAILNAUYOEQ-UHFFFAOYSA-N
XLogP1.87
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 113301025
3-(2,5-difluorophenyl)-4-propyl-1,2,4-triazole
CID 115395120
3-(5-fluoro-2-nitrophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393589
5-fluoro-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyridine
CID 104643364
3-(2-fluoro-6-methoxyphenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393517
3-fluoro-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]aniline
CID 55108013
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4,6-dimethylaniline
CID 63112611
3-(5-bromo-2-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393754
3-[(4-fluorophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 113300977
3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1H-pyridin-4-one
CID 136812983
3-[(1R)-1-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]ethyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 95714266
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-nitroaniline
CID 55107302

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole?
The IUPAC name of 3-(2,5-difluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole (CID 113301014) is 3-(2,5-difluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole.
What is the SMILES notation for 3-(2,5-difluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole?
The canonical SMILES for 3-(2,5-difluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole is COCCn1cnnc1-c1cc(F)ccc1F.
What is the InChIKey of 3-(2,5-difluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole?
The InChIKey is TXERAILNAUYOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-17-5-4-16-7-14-15-11(16)9-6-8(12)2-3-10(9)13/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 3-(2,5-difluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole?
3-(2,5-difluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole has a molecular weight of 239.23 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole is sourced from PubChem (CID 113301014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).