3-[(4-fluorophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole

C12H14FN3O — CID 113300977

IUPAC3-[(4-fluorophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
SMILESCOCCn1cnnc1Cc1ccc(F)cc1
InChIInChI=1S/C12H14FN3O/c1-17-7-6-16-9-14-15-12(16)8-10-2-4-11(13)5-3-10/h2-5,9H,6-8H2,1H3
InChIKeyXDIBCVLHUONDBL-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.65
Rot. Bonds5

About 3-[(4-fluorophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole

3-[(4-fluorophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole (PubChem CID 113300977) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
PubChem CID113300977
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name3-[(4-fluorophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
SMILESCOCCn1cnnc1Cc1ccc(F)cc1
InChIInChI=1S/C12H14FN3O/c1-17-7-6-16-9-14-15-12(16)8-10-2-4-11(13)5-3-10/h2-5,9H,6-8H2,1H3
InChIKeyXDIBCVLHUONDBL-UHFFFAOYSA-N
XLogP1.65
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-bromophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393752
3-[(4-fluorophenyl)methyl]-4-methyl-1,2,4-triazole
CID 115395245
3-[(3-bromophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 113300974
3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393588
1-(4-fluorophenyl)-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide
CID 131919964
4-(2-methoxyethyl)-3-propyl-1,2,4-triazole
CID 115393557
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylethanamine
CID 62711589
5-fluoro-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyridine
CID 104643364
3-(2,5-difluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 113301014
4-fluoro-2-hydroxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]benzamide
CID 90649871
4-(2-methoxyethyl)-3-pentyl-1,2,4-triazole
CID 115393653
3-(2-ethoxyethyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393769

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole (CID 113300977) is 3-[(4-fluorophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole is COCCn1cnnc1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole?
The InChIKey is XDIBCVLHUONDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-17-7-6-16-9-14-15-12(16)8-10-2-4-11(13)5-3-10/h2-5,9H,6-8H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole?
3-[(4-fluorophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole has a molecular weight of 235.26 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole is sourced from PubChem (CID 113300977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).