4-[2-(2,3,4-trimethoxyphenyl)ethyl]-2H-triazole

C13H17N3O3 — CID 112718797

IUPAC4-[2-(2,3,4-trimethoxyphenyl)ethyl]-2H-triazole
SMILESCOc1ccc(CCc2cn[nH]n2)c(OC)c1OC
InChIInChI=1S/C13H17N3O3/c1-17-11-7-5-9(12(18-2)13(11)19-3)4-6-10-8-14-16-15-10/h5,7-8H,4,6H2,1-3H3,(H,14,15,16)
InChIKeyJHANIAWXYKGFDF-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.62
Rot. Bonds6

About 4-[2-(2,3,4-trimethoxyphenyl)ethyl]-2H-triazole

4-[2-(2,3,4-trimethoxyphenyl)ethyl]-2H-triazole (PubChem CID 112718797) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-[2-(2,3,4-trimethoxyphenyl)ethyl]-2H-triazole.

Molecular Properties

Compound Name4-[2-(2,3,4-trimethoxyphenyl)ethyl]-2H-triazole
PubChem CID112718797
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-[2-(2,3,4-trimethoxyphenyl)ethyl]-2H-triazole
SMILESCOc1ccc(CCc2cn[nH]n2)c(OC)c1OC
InChIInChI=1S/C13H17N3O3/c1-17-11-7-5-9(12(18-2)13(11)19-3)4-6-10-8-14-16-15-10/h5,7-8H,4,6H2,1-3H3,(H,14,15,16)
InChIKeyJHANIAWXYKGFDF-UHFFFAOYSA-N
XLogP1.62
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(2,3,4-trimethoxyphenyl)ethyl]-2H-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trimethoxy-[3-(2,3,4-trimethoxyphenyl)propyl]silane
CID 174513383
4-[2-(5-fluoro-2-propoxyphenyl)ethyl]-2H-triazole
CID 112719741
3-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 11790895
2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethanamine
CID 65305545
2-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propan-2-amine
CID 64865802
1-hept-3-ynyl-2,3,4-trimethoxybenzene
CID 83934109
1-hex-3-ynyl-2,3,4-trimethoxybenzene
CID 83934105
CID 66584049
CID 66584049
N-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]nitrous amide
CID 46930718
3,3-dimethyl-5-(2,3,4-trimethoxyphenyl)pentan-1-amine
CID 65305448
1-[3-(2,3,4-trimethoxyphenyl)propyl]piperazine
CID 83934072
N-(1H-imidazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine
CID 63002008

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3,4-trimethoxyphenyl)ethyl]-2H-triazole?
The IUPAC name of 4-[2-(2,3,4-trimethoxyphenyl)ethyl]-2H-triazole (CID 112718797) is 4-[2-(2,3,4-trimethoxyphenyl)ethyl]-2H-triazole.
What is the SMILES notation for 4-[2-(2,3,4-trimethoxyphenyl)ethyl]-2H-triazole?
The canonical SMILES for 4-[2-(2,3,4-trimethoxyphenyl)ethyl]-2H-triazole is COc1ccc(CCc2cn[nH]n2)c(OC)c1OC.
What is the InChIKey of 4-[2-(2,3,4-trimethoxyphenyl)ethyl]-2H-triazole?
The InChIKey is JHANIAWXYKGFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-17-11-7-5-9(12(18-2)13(11)19-3)4-6-10-8-14-16-15-10/h5,7-8H,4,6H2,1-3H3,(H,14,15,16).
What are the key properties of 4-[2-(2,3,4-trimethoxyphenyl)ethyl]-2H-triazole?
4-[2-(2,3,4-trimethoxyphenyl)ethyl]-2H-triazole has a molecular weight of 263.30 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3,4-trimethoxyphenyl)ethyl]-2H-triazole is sourced from PubChem (CID 112718797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).