2-methoxy-5-[5-[(3,4,5-trimethoxyphenyl)methyl]-2H-triazol-4-yl]aniline

C19H22N4O4 — CID 66573067

IUPAC2-methoxy-5-[5-[(3,4,5-trimethoxyphenyl)methyl]-2H-triazol-4-yl]aniline
SMILESCOc1ccc(-c2n[nH]nc2Cc2cc(OC)c(OC)c(OC)c2)cc1N
InChIInChI=1S/C19H22N4O4/c1-24-15-6-5-12(10-13(15)20)18-14(21-23-22-18)7-11-8-16(25-2)19(27-4)17(9-11)26-3/h5-6,8-10H,7,20H2,1-4H3,(H,21,22,23)
InChIKeyRIZYTNBAKSEUHW-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.68
Rot. Bonds7

About 2-methoxy-5-[5-[(3,4,5-trimethoxyphenyl)methyl]-2H-triazol-4-yl]aniline

2-methoxy-5-[5-[(3,4,5-trimethoxyphenyl)methyl]-2H-triazol-4-yl]aniline (PubChem CID 66573067) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-methoxy-5-[5-[(3,4,5-trimethoxyphenyl)methyl]-2H-triazol-4-yl]aniline.

Molecular Properties

Compound Name2-methoxy-5-[5-[(3,4,5-trimethoxyphenyl)methyl]-2H-triazol-4-yl]aniline
PubChem CID66573067
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name2-methoxy-5-[5-[(3,4,5-trimethoxyphenyl)methyl]-2H-triazol-4-yl]aniline
SMILESCOc1ccc(-c2n[nH]nc2Cc2cc(OC)c(OC)c(OC)c2)cc1N
InChIInChI=1S/C19H22N4O4/c1-24-15-6-5-12(10-13(15)20)18-14(21-23-22-18)7-11-8-16(25-2)19(27-4)17(9-11)26-3/h5-6,8-10H,7,20H2,1-4H3,(H,21,22,23)
InChIKeyRIZYTNBAKSEUHW-UHFFFAOYSA-N
XLogP2.68
TPSA104.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-methoxy-5-[5-[(3,4,5-trimethoxyphenyl)methyl]-2H-triazol-4-yl]aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[5-[(3,4,5-trimethoxyphenyl)methyl]-2H-triazol-4-yl]aniline?
The IUPAC name of 2-methoxy-5-[5-[(3,4,5-trimethoxyphenyl)methyl]-2H-triazol-4-yl]aniline (CID 66573067) is 2-methoxy-5-[5-[(3,4,5-trimethoxyphenyl)methyl]-2H-triazol-4-yl]aniline.
What is the SMILES notation for 2-methoxy-5-[5-[(3,4,5-trimethoxyphenyl)methyl]-2H-triazol-4-yl]aniline?
The canonical SMILES for 2-methoxy-5-[5-[(3,4,5-trimethoxyphenyl)methyl]-2H-triazol-4-yl]aniline is COc1ccc(-c2n[nH]nc2Cc2cc(OC)c(OC)c(OC)c2)cc1N.
What is the InChIKey of 2-methoxy-5-[5-[(3,4,5-trimethoxyphenyl)methyl]-2H-triazol-4-yl]aniline?
The InChIKey is RIZYTNBAKSEUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-24-15-6-5-12(10-13(15)20)18-14(21-23-22-18)7-11-8-16(25-2)19(27-4)17(9-11)26-3/h5-6,8-10H,7,20H2,1-4H3,(H,21,22,23).
What are the key properties of 2-methoxy-5-[5-[(3,4,5-trimethoxyphenyl)methyl]-2H-triazol-4-yl]aniline?
2-methoxy-5-[5-[(3,4,5-trimethoxyphenyl)methyl]-2H-triazol-4-yl]aniline has a molecular weight of 370.41 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[5-[(3,4,5-trimethoxyphenyl)methyl]-2H-triazol-4-yl]aniline is sourced from PubChem (CID 66573067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).