3-(2-fluoro-6-methoxyphenyl)-4-(2-methoxyethyl)-1,2,4-triazole

C12H14FN3O2 — CID 115393517

IUPAC3-(2-fluoro-6-methoxyphenyl)-4-(2-methoxyethyl)-1,2,4-triazole
SMILESCOCCn1cnnc1-c1c(F)cccc1OC
InChIInChI=1S/C12H14FN3O2/c1-17-7-6-16-8-14-15-12(16)11-9(13)4-3-5-10(11)18-2/h3-5,8H,6-7H2,1-2H3
InChIKeyPTMRQVQBTMGRDC-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.74
Rot. Bonds5

About 3-(2-fluoro-6-methoxyphenyl)-4-(2-methoxyethyl)-1,2,4-triazole

3-(2-fluoro-6-methoxyphenyl)-4-(2-methoxyethyl)-1,2,4-triazole (PubChem CID 115393517) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is 3-(2-fluoro-6-methoxyphenyl)-4-(2-methoxyethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-fluoro-6-methoxyphenyl)-4-(2-methoxyethyl)-1,2,4-triazole
PubChem CID115393517
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name3-(2-fluoro-6-methoxyphenyl)-4-(2-methoxyethyl)-1,2,4-triazole
SMILESCOCCn1cnnc1-c1c(F)cccc1OC
InChIInChI=1S/C12H14FN3O2/c1-17-7-6-16-8-14-15-12(16)11-9(13)4-3-5-10(11)18-2/h3-5,8H,6-7H2,1-2H3
InChIKeyPTMRQVQBTMGRDC-UHFFFAOYSA-N
XLogP1.74
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]aniline
CID 55108013
3-(2,5-difluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 113301014
5-fluoro-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyridine
CID 104643364
4-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,2,4-triazole
CID 113300999
3-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 113301025
3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 47003904
3-[(4-fluorophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 113300977
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,6-dimethylbenzoic acid
CID 103431008
3-methoxy-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393679
5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole
CID 115393609
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thiophen-3-amine
CID 62709711
3-(5-fluoro-2-nitrophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393589

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-6-methoxyphenyl)-4-(2-methoxyethyl)-1,2,4-triazole?
The IUPAC name of 3-(2-fluoro-6-methoxyphenyl)-4-(2-methoxyethyl)-1,2,4-triazole (CID 115393517) is 3-(2-fluoro-6-methoxyphenyl)-4-(2-methoxyethyl)-1,2,4-triazole.
What is the SMILES notation for 3-(2-fluoro-6-methoxyphenyl)-4-(2-methoxyethyl)-1,2,4-triazole?
The canonical SMILES for 3-(2-fluoro-6-methoxyphenyl)-4-(2-methoxyethyl)-1,2,4-triazole is COCCn1cnnc1-c1c(F)cccc1OC.
What is the InChIKey of 3-(2-fluoro-6-methoxyphenyl)-4-(2-methoxyethyl)-1,2,4-triazole?
The InChIKey is PTMRQVQBTMGRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c1-17-7-6-16-8-14-15-12(16)11-9(13)4-3-5-10(11)18-2/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 3-(2-fluoro-6-methoxyphenyl)-4-(2-methoxyethyl)-1,2,4-triazole?
3-(2-fluoro-6-methoxyphenyl)-4-(2-methoxyethyl)-1,2,4-triazole has a molecular weight of 251.26 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-6-methoxyphenyl)-4-(2-methoxyethyl)-1,2,4-triazole is sourced from PubChem (CID 115393517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).