4-(ethoxymethyl)-1-(4-methoxyphenyl)triazole

C12H15N3O2 — CID 121000875

IUPAC4-(ethoxymethyl)-1-(4-methoxyphenyl)triazole
SMILESCCOCc1cn(-c2ccc(OC)cc2)nn1
InChIInChI=1S/C12H15N3O2/c1-3-17-9-10-8-15(14-13-10)11-4-6-12(16-2)7-5-11/h4-8H,3,9H2,1-2H3
InChIKeyUFVVUYPTMBUKPI-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.81
Rot. Bonds5

About 4-(ethoxymethyl)-1-(4-methoxyphenyl)triazole

4-(ethoxymethyl)-1-(4-methoxyphenyl)triazole (PubChem CID 121000875) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(ethoxymethyl)-1-(4-methoxyphenyl)triazole.

Molecular Properties

Compound Name4-(ethoxymethyl)-1-(4-methoxyphenyl)triazole
PubChem CID121000875
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-(ethoxymethyl)-1-(4-methoxyphenyl)triazole
SMILESCCOCc1cn(-c2ccc(OC)cc2)nn1
InChIInChI=1S/C12H15N3O2/c1-3-17-9-10-8-15(14-13-10)11-4-6-12(16-2)7-5-11/h4-8H,3,9H2,1-2H3
InChIKeyUFVVUYPTMBUKPI-UHFFFAOYSA-N
XLogP1.81
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carbaldehyde
CID 14872469
[1-(4-methoxyphenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 49803437
1H-1,2,3-Triazole, 4-(phenoxymethyl)-1-phenyl-
CID 851737
1-(4-Methoxyphenyl)-1H-pyrazole
CID 12238131
1-(2-methoxyphenyl)-4-((1-phenyl-1H-1,2,3-triazol-4-yl)methyl)piperazine
CID 44412269
N,N-Diethyl-3-(1-(3-(4-(2-methoxyphenyl)piperazin-1-yl)propyl)-1H-1,2,3-triazol-4-yl)propan-1-amine
CID 45481891
4-Hydroxy-4-[1-(4-methoxyphenyl)triazol-4-yl]cyclohexa-2,5-dien-1-one
CID 46211544
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-(4-methoxyphenyl)triazol-4-yl]methoxy]oxane-3,4,5-triol
CID 57397423
1-[[1-[2-(2-Fluoroethoxy)ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 72544789
1-[[1-[2-[2-(2-Fluoroethoxy)ethoxy]ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 72545007
1-[[1-[4-(2-Fluoroethoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 72545011
1-[[1-[4-(3-Fluoropropoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 72545238

Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-1-(4-methoxyphenyl)triazole?
The IUPAC name of 4-(ethoxymethyl)-1-(4-methoxyphenyl)triazole (CID 121000875) is 4-(ethoxymethyl)-1-(4-methoxyphenyl)triazole.
What is the SMILES notation for 4-(ethoxymethyl)-1-(4-methoxyphenyl)triazole?
The canonical SMILES for 4-(ethoxymethyl)-1-(4-methoxyphenyl)triazole is CCOCc1cn(-c2ccc(OC)cc2)nn1.
What is the InChIKey of 4-(ethoxymethyl)-1-(4-methoxyphenyl)triazole?
The InChIKey is UFVVUYPTMBUKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-17-9-10-8-15(14-13-10)11-4-6-12(16-2)7-5-11/h4-8H,3,9H2,1-2H3.
What are the key properties of 4-(ethoxymethyl)-1-(4-methoxyphenyl)triazole?
4-(ethoxymethyl)-1-(4-methoxyphenyl)triazole has a molecular weight of 233.27 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-1-(4-methoxyphenyl)triazole is sourced from PubChem (CID 121000875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).