ethane;N-ethyl-5-(5-ethyl-2-hydroxybenzene-4-id-1-yl)-4-(4-methylphenyl)-1,2,4-triazole-3-carboxamide;uranium

C22H27N4O2U- — CID 176679831

IUPACethane;N-ethyl-5-(5-ethyl-2-hydroxybenzene-4-id-1-yl)-4-(4-methylphenyl)-1,2,4-triazole-3-carboxamide;uranium
SMILESCC.CCNC(=O)c1nnc(-c2cc(CC)[c-]cc2O)n1-c1ccc(C)cc1.[U]
InChIInChI=1S/C20H21N4O2.C2H6.U/c1-4-14-8-11-17(25)16(12-14)18-22-23-19(20(26)21-5-2)24(18)15-9-6-13(3)7-10-15;1-2;/h6-7,9-12,25H,4-5H2,1-3H3,(H,21,26);1-2H3;/q-1;;
InChIKeyPMMAOQLJHCAPOK-UHFFFAOYSA-N
MW617.51 g/mol
LogP4.09
Rot. Bonds5

About ethane;N-ethyl-5-(5-ethyl-2-hydroxybenzene-4-id-1-yl)-4-(4-methylphenyl)-1,2,4-triazole-3-carboxamide;uranium

ethane;N-ethyl-5-(5-ethyl-2-hydroxybenzene-4-id-1-yl)-4-(4-methylphenyl)-1,2,4-triazole-3-carboxamide;uranium (PubChem CID 176679831) has the molecular formula C22H27N4O2U- and a molecular weight of 617.51 g/mol. Its IUPAC name is ethane;N-ethyl-5-(5-ethyl-2-hydroxybenzene-4-id-1-yl)-4-(4-methylphenyl)-1,2,4-triazole-3-carboxamide;uranium.

Molecular Properties

Compound Nameethane;N-ethyl-5-(5-ethyl-2-hydroxybenzene-4-id-1-yl)-4-(4-methylphenyl)-1,2,4-triazole-3-carboxamide;uranium
PubChem CID176679831
Molecular FormulaC22H27N4O2U-
Molecular Weight617.51 g/mol
Exact Mass617.26
IUPAC Nameethane;N-ethyl-5-(5-ethyl-2-hydroxybenzene-4-id-1-yl)-4-(4-methylphenyl)-1,2,4-triazole-3-carboxamide;uranium
SMILESCC.CCNC(=O)c1nnc(-c2cc(CC)[c-]cc2O)n1-c1ccc(C)cc1.[U]
InChIInChI=1S/C20H21N4O2.C2H6.U/c1-4-14-8-11-17(25)16(12-14)18-22-23-19(20(26)21-5-2)24(18)15-9-6-13(3)7-10-15;1-2;/h6-7,9-12,25H,4-5H2,1-3H3,(H,21,26);1-2H3;/q-1;;
InChIKeyPMMAOQLJHCAPOK-UHFFFAOYSA-N
XLogP4.09
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.51
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethane;N-ethyl-5-(5-ethyl-2-hydroxybenzene-4-id-1-yl)-4-(4-methylphenyl)-1,2,4-triazole-3-carboxamide;uranium 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

N-ethyl-5-(5-ethyl-2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 176679832
ethane;5-(5-ethyl-2,4-dihydroxyphenyl)-4-(4-methylphenyl)-N-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazole-3-carboxamide
CID 176552304
5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)-1,2,4-triazole-3-carboxamide;ethane
CID 176552418
5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(piperazin-1-ylmethyl)phenyl]-1,2,4-triazole-3-carboxamide;ethane
CID 142606046
5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]-1,2,4-triazole-3-carboxamide
CID 162740651
4-[4-[[4-(2-chloroethyl)piperazin-1-yl]methyl]phenyl]-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2,4-triazole-3-carboxamide
CID 162740500
N-ethyl-5-(2-hydroxy-4-methoxy-5-propan-2-ylphenyl)-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-triazole-3-carboxamide
CID 135924280
4-[4-[[4-[(3,6-dihydroxy-2-methyloxan-4-yl)carbamoyl]phenyl]methyl]phenyl]-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2,4-triazole-3-carboxamide
CID 137053083
3-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]benzoyl]-methylamino]propyl formate
CID 144807686
4-[[4-[3-[5-[butyl(methyl)carbamoyl]-2,4-dihydroxyphenyl]-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperidine-1-carboxylic acid
CID 137003859
[1-[4-[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenoxy]benzoyl]piperidin-4-yl] N-ethylcarbamate
CID 140674341
1-[[4-[3-(ethylcarbamoyl)-5-[2-hydroxy-4-(3-methylbutoxy)-5-propan-2-ylphenyl]-1,2,4-triazol-4-yl]phenyl]methyl]piperidine-4-carboxylic acid
CID 137125571

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-5-(5-ethyl-2-hydroxybenzene-4-id-1-yl)-4-(4-methylphenyl)-1,2,4-triazole-3-carboxamide;uranium?
The IUPAC name of ethane;N-ethyl-5-(5-ethyl-2-hydroxybenzene-4-id-1-yl)-4-(4-methylphenyl)-1,2,4-triazole-3-carboxamide;uranium (CID 176679831) is ethane;N-ethyl-5-(5-ethyl-2-hydroxybenzene-4-id-1-yl)-4-(4-methylphenyl)-1,2,4-triazole-3-carboxamide;uranium.
What is the SMILES notation for ethane;N-ethyl-5-(5-ethyl-2-hydroxybenzene-4-id-1-yl)-4-(4-methylphenyl)-1,2,4-triazole-3-carboxamide;uranium?
The canonical SMILES for ethane;N-ethyl-5-(5-ethyl-2-hydroxybenzene-4-id-1-yl)-4-(4-methylphenyl)-1,2,4-triazole-3-carboxamide;uranium is CC.CCNC(=O)c1nnc(-c2cc(CC)[c-]cc2O)n1-c1ccc(C)cc1.[U].
What is the InChIKey of ethane;N-ethyl-5-(5-ethyl-2-hydroxybenzene-4-id-1-yl)-4-(4-methylphenyl)-1,2,4-triazole-3-carboxamide;uranium?
The InChIKey is PMMAOQLJHCAPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N4O2.C2H6.U/c1-4-14-8-11-17(25)16(12-14)18-22-23-19(20(26)21-5-2)24(18)15-9-6-13(3)7-10-15;1-2;/h6-7,9-12,25H,4-5H2,1-3H3,(H,21,26);1-2H3;/q-1;;.
What are the key properties of ethane;N-ethyl-5-(5-ethyl-2-hydroxybenzene-4-id-1-yl)-4-(4-methylphenyl)-1,2,4-triazole-3-carboxamide;uranium?
ethane;N-ethyl-5-(5-ethyl-2-hydroxybenzene-4-id-1-yl)-4-(4-methylphenyl)-1,2,4-triazole-3-carboxamide;uranium has a molecular weight of 617.51 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-5-(5-ethyl-2-hydroxybenzene-4-id-1-yl)-4-(4-methylphenyl)-1,2,4-triazole-3-carboxamide;uranium is sourced from PubChem (CID 176679831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).