[1-(4-methoxyphenyl)triazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone

C19H19N3O5 — CID 53324856

IUPAC[1-(4-methoxyphenyl)triazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(-n2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)nn2)cc1
InChIInChI=1S/C19H19N3O5/c1-24-14-7-5-13(6-8-14)22-11-15(20-21-22)18(23)12-9-16(25-2)19(27-4)17(10-12)26-3/h5-11H,1-4H3
InChIKeyCJTBKKDRGRCSSQ-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.53
Rot. Bonds7

About [1-(4-methoxyphenyl)triazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone

[1-(4-methoxyphenyl)triazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 53324856) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)triazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)triazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID53324856
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name[1-(4-methoxyphenyl)triazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(-n2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)nn2)cc1
InChIInChI=1S/C19H19N3O5/c1-24-14-7-5-13(6-8-14)22-11-15(20-21-22)18(23)12-9-16(25-2)19(27-4)17(10-12)26-3/h5-11H,1-4H3
InChIKeyCJTBKKDRGRCSSQ-UHFFFAOYSA-N
XLogP2.53
TPSA84.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [1-(4-methoxyphenyl)triazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone 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 [1-(4-methoxyphenyl)triazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [1-(4-methoxyphenyl)triazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 53324856) is [1-(4-methoxyphenyl)triazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [1-(4-methoxyphenyl)triazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [1-(4-methoxyphenyl)triazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1ccc(-n2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)nn2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)triazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is CJTBKKDRGRCSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-24-14-7-5-13(6-8-14)22-11-15(20-21-22)18(23)12-9-16(25-2)19(27-4)17(10-12)26-3/h5-11H,1-4H3.
What are the key properties of [1-(4-methoxyphenyl)triazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
[1-(4-methoxyphenyl)triazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 369.38 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)triazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 53324856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).