[5-amino-3-(4-ethoxyanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone

C20H23N5O5 — CID 118708615

IUPAC[5-amino-3-(4-ethoxyanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCCOc1ccc(Nc2nc(N)n(C(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C20H23N5O5/c1-5-30-14-8-6-13(7-9-14)22-20-23-19(21)25(24-20)18(26)12-10-15(27-2)17(29-4)16(11-12)28-3/h6-11H,5H2,1-4H3,(H3,21,22,23,24)
InChIKeyYPDDNAPKGVNLIA-UHFFFAOYSA-N
MW413.43 g/mol
LogP2.72
Rot. Bonds8

About [5-amino-3-(4-ethoxyanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone

[5-amino-3-(4-ethoxyanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 118708615) has the molecular formula C20H23N5O5 and a molecular weight of 413.43 g/mol. Its IUPAC name is [5-amino-3-(4-ethoxyanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[5-amino-3-(4-ethoxyanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID118708615
Molecular FormulaC20H23N5O5
Molecular Weight413.43 g/mol
Exact Mass413.17
IUPAC Name[5-amino-3-(4-ethoxyanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCCOc1ccc(Nc2nc(N)n(C(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C20H23N5O5/c1-5-30-14-8-6-13(7-9-14)22-20-23-19(21)25(24-20)18(26)12-10-15(27-2)17(29-4)16(11-12)28-3/h6-11H,5H2,1-4H3,(H3,21,22,23,24)
InChIKeyYPDDNAPKGVNLIA-UHFFFAOYSA-N
XLogP2.72
TPSA122.75 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze [5-amino-3-(4-ethoxyanilino)-1,2,4-triazol-1-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

Related Compounds

[5-Amino-3-(4-methylanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708605
[5-Amino-3-(3,4-dimethylanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708607
[5-Amino-3-(4-ethylanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708608
[5-Amino-3-(3-methoxyanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708612
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-3,4,5-trimethoxybenzamide
CID 665789
(5-Amino-3-anilino-1,2,4-triazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 118708603
[5-Amino-3-(4-fluoroanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708604
[5-Amino-3-(3-methylanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708606
[5-Amino-3-(4-propan-2-ylanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708609
[5-Amino-3-(4-methoxyanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708611
[5-Amino-3-(1,3-benzodioxol-5-ylamino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708616
3,4,5-Trimethoxy-N-(3-methyl-4-tetrazol-1-yl-phenyl)-benzamide
CID 645959

Frequently Asked Questions

What is the IUPAC name of [5-amino-3-(4-ethoxyanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [5-amino-3-(4-ethoxyanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 118708615) is [5-amino-3-(4-ethoxyanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [5-amino-3-(4-ethoxyanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [5-amino-3-(4-ethoxyanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone is CCOc1ccc(Nc2nc(N)n(C(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1.
What is the InChIKey of [5-amino-3-(4-ethoxyanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is YPDDNAPKGVNLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O5/c1-5-30-14-8-6-13(7-9-14)22-20-23-19(21)25(24-20)18(26)12-10-15(27-2)17(29-4)16(11-12)28-3/h6-11H,5H2,1-4H3,(H3,21,22,23,24).
What are the key properties of [5-amino-3-(4-ethoxyanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
[5-amino-3-(4-ethoxyanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 413.43 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-3-(4-ethoxyanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 118708615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).