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

C19H22N4O4 — CID 46937319

IUPAC2-methoxy-5-[3-[(3,4,5-trimethoxyphenyl)methyl]triazol-4-yl]aniline
SMILESCOc1ccc(-c2cnnn2Cc2cc(OC)c(OC)c(OC)c2)cc1N
InChIInChI=1S/C19H22N4O4/c1-24-16-6-5-13(9-14(16)20)15-10-21-22-23(15)11-12-7-17(25-2)19(27-4)18(8-12)26-3/h5-10H,11,20H2,1-4H3
InChIKeyAFEGRZNTEYWOCG-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.61
Rot. Bonds7

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

2-methoxy-5-[3-[(3,4,5-trimethoxyphenyl)methyl]triazol-4-yl]aniline (PubChem CID 46937319) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-methoxy-5-[3-[(3,4,5-trimethoxyphenyl)methyl]triazol-4-yl]aniline.

Molecular Properties

Compound Name2-methoxy-5-[3-[(3,4,5-trimethoxyphenyl)methyl]triazol-4-yl]aniline
PubChem CID46937319
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name2-methoxy-5-[3-[(3,4,5-trimethoxyphenyl)methyl]triazol-4-yl]aniline
SMILESCOc1ccc(-c2cnnn2Cc2cc(OC)c(OC)c(OC)c2)cc1N
InChIInChI=1S/C19H22N4O4/c1-24-16-6-5-13(9-14(16)20)15-10-21-22-23(15)11-12-7-17(25-2)19(27-4)18(8-12)26-3/h5-10H,11,20H2,1-4H3
InChIKeyAFEGRZNTEYWOCG-UHFFFAOYSA-N
XLogP2.61
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-(4-Methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-1,2,3-triazole
CID 44585270
1-(4-Methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-1,2,3-triazole
CID 44585261
2-Methoxy-5-[2-(3,4,5-trimethoxyphenyl)pyrazol-3-yl]aniline
CID 11810398
1-(3,4,5-Trimethoxyphenyl)-5-(3-amino-4-methoxyphenyl)-1,2,3-triazole
CID 25014635
2-Methoxy-5-[5-(3,4,5-trimethoxyphenyl)triazol-1-yl]aniline
CID 44585269
2-Methoxy-5-[2-(3,4,5-trimethoxyphenyl)pyrrol-1-yl]aniline
CID 162654365
5-(4-Methoxy-3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)triazole
CID 44585276
2-Methoxy-5-[[5-(3,4,5-trimethoxyphenyl)triazol-1-yl]methyl]aniline
CID 46937318
2-Methoxy-5-[3-[(3,4,5-trimethoxyphenyl)methyl]triazol-4-yl]phenol
CID 49865638
3-Methoxy-6-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]benzene-1,2-diamine
CID 56840438
5-(2,3-Difluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole
CID 56840439
2-methoxy-5-[5-[(3,4,5-trimethoxyphenyl)methyl]-2H-triazol-4-yl]aniline
CID 66573067

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[3-[(3,4,5-trimethoxyphenyl)methyl]triazol-4-yl]aniline?
The IUPAC name of 2-methoxy-5-[3-[(3,4,5-trimethoxyphenyl)methyl]triazol-4-yl]aniline (CID 46937319) is 2-methoxy-5-[3-[(3,4,5-trimethoxyphenyl)methyl]triazol-4-yl]aniline.
What is the SMILES notation for 2-methoxy-5-[3-[(3,4,5-trimethoxyphenyl)methyl]triazol-4-yl]aniline?
The canonical SMILES for 2-methoxy-5-[3-[(3,4,5-trimethoxyphenyl)methyl]triazol-4-yl]aniline is COc1ccc(-c2cnnn2Cc2cc(OC)c(OC)c(OC)c2)cc1N.
What is the InChIKey of 2-methoxy-5-[3-[(3,4,5-trimethoxyphenyl)methyl]triazol-4-yl]aniline?
The InChIKey is AFEGRZNTEYWOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-24-16-6-5-13(9-14(16)20)15-10-21-22-23(15)11-12-7-17(25-2)19(27-4)18(8-12)26-3/h5-10H,11,20H2,1-4H3.
What are the key properties of 2-methoxy-5-[3-[(3,4,5-trimethoxyphenyl)methyl]triazol-4-yl]aniline?
2-methoxy-5-[3-[(3,4,5-trimethoxyphenyl)methyl]triazol-4-yl]aniline has a molecular weight of 370.41 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[3-[(3,4,5-trimethoxyphenyl)methyl]triazol-4-yl]aniline is sourced from PubChem (CID 46937319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).