3-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole

C11H11ClFN3O — CID 113301025

IUPAC3-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
SMILESCOCCn1cnnc1-c1cc(Cl)ccc1F
InChIInChI=1S/C11H11ClFN3O/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
InChIKeyFCJQZURCZMWVOK-UHFFFAOYSA-N
MW255.68 g/mol
LogP2.38
Rot. Bonds4

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

3-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole (PubChem CID 113301025) has the molecular formula C11H11ClFN3O and a molecular weight of 255.68 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
PubChem CID113301025
Molecular FormulaC11H11ClFN3O
Molecular Weight255.68 g/mol
Exact Mass255.06
IUPAC Name3-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
SMILESCOCCn1cnnc1-c1cc(Cl)ccc1F
InChIInChI=1S/C11H11ClFN3O/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
InChIKeyFCJQZURCZMWVOK-UHFFFAOYSA-N
XLogP2.38
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-difluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 113301014
3-(5-bromo-2-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393754
3-(2,5-difluorophenyl)-4-propyl-1,2,4-triazole
CID 115395120
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
3-(5-fluoro-2-nitrophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393589
3-(5-chlorothiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393550
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4,6-dimethylaniline
CID 63112611
5-fluoro-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyridine
CID 104643364
3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1H-pyridin-4-one
CID 136812983
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-nitroaniline
CID 55107302
3-(4-ethyl-1,2,4-triazol-3-yl)-4-fluoroaniline
CID 62694280

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole?
The IUPAC name of 3-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole (CID 113301025) is 3-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole.
What is the SMILES notation for 3-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole?
The canonical SMILES for 3-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole is COCCn1cnnc1-c1cc(Cl)ccc1F.
What is the InChIKey of 3-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole?
The InChIKey is FCJQZURCZMWVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O/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-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole?
3-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole has a molecular weight of 255.68 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole is sourced from PubChem (CID 113301025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).