3-(2,3-dimethoxyphenyl)-4-ethyl-1,2,4-triazole

C12H15N3O2 — CID 113301247

IUPAC3-(2,3-dimethoxyphenyl)-4-ethyl-1,2,4-triazole
SMILESCCn1cnnc1-c1cccc(OC)c1OC
InChIInChI=1S/C12H15N3O2/c1-4-15-8-13-14-12(15)9-6-5-7-10(16-2)11(9)17-3/h5-8H,4H2,1-3H3
InChIKeyILMNRLNXJISFSY-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.98
Rot. Bonds4

About 3-(2,3-dimethoxyphenyl)-4-ethyl-1,2,4-triazole

3-(2,3-dimethoxyphenyl)-4-ethyl-1,2,4-triazole (PubChem CID 113301247) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-4-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-4-ethyl-1,2,4-triazole
PubChem CID113301247
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-(2,3-dimethoxyphenyl)-4-ethyl-1,2,4-triazole
SMILESCCn1cnnc1-c1cccc(OC)c1OC
InChIInChI=1S/C12H15N3O2/c1-4-15-8-13-14-12(15)9-6-5-7-10(16-2)11(9)17-3/h5-8H,4H2,1-3H3
InChIKeyILMNRLNXJISFSY-UHFFFAOYSA-N
XLogP1.98
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-3-(2-fluoro-3-methylphenyl)-1,2,4-triazole
CID 115394918
3,12-bis(2,3-dimethoxyphenyl)-1,2,4,5,7,8,10,11-octazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene
CID 156905120
4-ethyl-3-(4-fluoronaphthalen-1-yl)-1,2,4-triazole
CID 114088311
4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole
CID 69250902
4-(2,3-dimethoxyphenyl)-1-ethyl-5-methylpyrazole
CID 162634053
5-(2,3-dimethoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596566
3-(2-methoxyphenyl)-1,2,4-triazol-4-amine
CID 54284537
3-(2-fluoro-6-methoxyphenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393517
2-[[3-(2,3-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethanamine
CID 45496253
2-(2,3-dimethoxyphenyl)-4-ethyl-1,3-oxazole
CID 144909946
3-(2,3-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393137
N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119733347

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-4-ethyl-1,2,4-triazole?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-4-ethyl-1,2,4-triazole (CID 113301247) is 3-(2,3-dimethoxyphenyl)-4-ethyl-1,2,4-triazole.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-4-ethyl-1,2,4-triazole?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-4-ethyl-1,2,4-triazole is CCn1cnnc1-c1cccc(OC)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-4-ethyl-1,2,4-triazole?
The InChIKey is ILMNRLNXJISFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-4-15-8-13-14-12(15)9-6-5-7-10(16-2)11(9)17-3/h5-8H,4H2,1-3H3.
What are the key properties of 3-(2,3-dimethoxyphenyl)-4-ethyl-1,2,4-triazole?
3-(2,3-dimethoxyphenyl)-4-ethyl-1,2,4-triazole has a molecular weight of 233.27 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-4-ethyl-1,2,4-triazole is sourced from PubChem (CID 113301247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).