N,1-bis[2-(4-hydroxyphenyl)ethyl]triazole-4-carboxamide

C19H20N4O3 — CID 127037797

IUPACN,1-bis[2-(4-hydroxyphenyl)ethyl]triazole-4-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1cn(CCc2ccc(O)cc2)nn1
InChIInChI=1S/C19H20N4O3/c24-16-5-1-14(2-6-16)9-11-20-19(26)18-13-23(22-21-18)12-10-15-3-7-17(25)8-4-15/h1-8,13,24-25H,9-12H2,(H,20,26)
InChIKeyAQUHFUJYWUQITD-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.90
Rot. Bonds7

About N,1-bis[2-(4-hydroxyphenyl)ethyl]triazole-4-carboxamide

N,1-bis[2-(4-hydroxyphenyl)ethyl]triazole-4-carboxamide (PubChem CID 127037797) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N,1-bis[2-(4-hydroxyphenyl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN,1-bis[2-(4-hydroxyphenyl)ethyl]triazole-4-carboxamide
PubChem CID127037797
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN,1-bis[2-(4-hydroxyphenyl)ethyl]triazole-4-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1cn(CCc2ccc(O)cc2)nn1
InChIInChI=1S/C19H20N4O3/c24-16-5-1-14(2-6-16)9-11-20-19(26)18-13-23(22-21-18)12-10-15-3-7-17(25)8-4-15/h1-8,13,24-25H,9-12H2,(H,20,26)
InChIKeyAQUHFUJYWUQITD-UHFFFAOYSA-N
XLogP1.90
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N,1-bis[2-(4-hydroxyphenyl)ethyl]triazole-4-carboxamide 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

(2S)-2-[[(2S)-2-[4-[[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]methyl]triazol-1-yl]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
CID 72192567
(2S)-2-[4-[(1S)-1-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-2-phenylethyl]triazol-1-yl]-4-methylpentanoic acid
CID 72192861
CD-Mono-IY-DP
CID 16129551
(2S)-2-[[(2S)-2-[[2-[[2-[4-[(1S)-1-amino-2-(4-hydroxyphenyl)ethyl]triazol-1-yl]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
CID 72192565
(2S)-2-[[(2S)-2-[[2-[4-[[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]methyl]triazol-1-yl]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
CID 72192566
1-[2-(3-bromo-4-hydroxyphenyl)ethyl]-N-[2-(3,5-dibromo-4-hydroxyphenyl)ethyl]triazole-4-carboxamide
CID 127039530
1-[2-(1-benzyltriazol-4-yl)ethyl]-3-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea
CID 124186860
1-cyclopropyl-N-{1-[(4-hydroxyphenyl)methyl]azetidin-3-yl}-1H-1,2,3-triazole-4-carboxamide
CID 132228129
CD-Mono-LY-DP
CID 16129545
CD-Mono-YI-DP
CID 16129557
1-[(2-hydroxyphenyl)methyl]-5-methyl-N-phenyltriazole-4-carboxamide
CID 25147853
N-benzyl-1-[(2-hydroxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 25147945

Frequently Asked Questions

What is the IUPAC name of N,1-bis[2-(4-hydroxyphenyl)ethyl]triazole-4-carboxamide?
The IUPAC name of N,1-bis[2-(4-hydroxyphenyl)ethyl]triazole-4-carboxamide (CID 127037797) is N,1-bis[2-(4-hydroxyphenyl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for N,1-bis[2-(4-hydroxyphenyl)ethyl]triazole-4-carboxamide?
The canonical SMILES for N,1-bis[2-(4-hydroxyphenyl)ethyl]triazole-4-carboxamide is O=C(NCCc1ccc(O)cc1)c1cn(CCc2ccc(O)cc2)nn1.
What is the InChIKey of N,1-bis[2-(4-hydroxyphenyl)ethyl]triazole-4-carboxamide?
The InChIKey is AQUHFUJYWUQITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-16-5-1-14(2-6-16)9-11-20-19(26)18-13-23(22-21-18)12-10-15-3-7-17(25)8-4-15/h1-8,13,24-25H,9-12H2,(H,20,26).
What are the key properties of N,1-bis[2-(4-hydroxyphenyl)ethyl]triazole-4-carboxamide?
N,1-bis[2-(4-hydroxyphenyl)ethyl]triazole-4-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis[2-(4-hydroxyphenyl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 127037797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).