[5-(5-ethyl-2,4-dihydroxyphenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl] N-ethenylcarbamate

C20H20N4O4 — CID 143232488

IUPAC[5-(5-ethyl-2,4-dihydroxyphenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl] N-ethenylcarbamate
SMILESC=CNC(=O)Oc1nnc(-c2cc(CC)c(O)cc2O)n1-c1cccc(C)c1
InChIInChI=1S/C20H20N4O4/c1-4-13-10-15(17(26)11-16(13)25)18-22-23-19(28-20(27)21-5-2)24(18)14-8-6-7-12(3)9-14/h5-11,25-26H,2,4H2,1,3H3,(H,21,27)
InChIKeyBTXKSYZREGWEOR-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.45
Rot. Bonds5

About [5-(5-ethyl-2,4-dihydroxyphenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl] N-ethenylcarbamate

[5-(5-ethyl-2,4-dihydroxyphenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl] N-ethenylcarbamate (PubChem CID 143232488) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is [5-(5-ethyl-2,4-dihydroxyphenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl] N-ethenylcarbamate.

Molecular Properties

Compound Name[5-(5-ethyl-2,4-dihydroxyphenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl] N-ethenylcarbamate
PubChem CID143232488
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name[5-(5-ethyl-2,4-dihydroxyphenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl] N-ethenylcarbamate
SMILESC=CNC(=O)Oc1nnc(-c2cc(CC)c(O)cc2O)n1-c1cccc(C)c1
InChIInChI=1S/C20H20N4O4/c1-4-13-10-15(17(26)11-16(13)25)18-22-23-19(28-20(27)21-5-2)24(18)14-8-6-7-12(3)9-14/h5-11,25-26H,2,4H2,1,3H3,(H,21,27)
InChIKeyBTXKSYZREGWEOR-UHFFFAOYSA-N
XLogP3.45
TPSA109.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [5-(5-ethyl-2,4-dihydroxyphenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl] N-ethenylcarbamate with MolForge

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Related Compounds

4-[5-amino-4-(3-methylphenyl)-1,2,4-triazol-3-yl]-6-ethylbenzene-1,3-diol;ethane
CID 143589451
3-(5-ethyl-4-hydroxy-2-methylphenyl)-4-(3-methylphenyl)-1H-1,2,4-triazol-5-one
CID 143589751
ethyl N-[2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]carbamate
CID 7257180
ethyl 2-[[4,5-bis(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 7123526
5-(methylamino)-4-(3-methylphenyl)-1,2,4-triazole-3-carboxylic acid
CID 83895139
N-(2-ethyl-6-methylphenyl)-2-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2194196
2-[[4-(3-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N,N-bis(prop-2-enyl)acetamide
CID 7208011
N-(2-ethylphenyl)-2-[[4-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 126107785
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 154738743
2-ethylphenol;1,3-xylene
CID 174948528
2-[[5-(4-chlorophenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 126094746
methyl (2S)-2-[[5-(1H-indol-3-yl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate
CID 136754660

Frequently Asked Questions

What is the IUPAC name of [5-(5-ethyl-2,4-dihydroxyphenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl] N-ethenylcarbamate?
The IUPAC name of [5-(5-ethyl-2,4-dihydroxyphenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl] N-ethenylcarbamate (CID 143232488) is [5-(5-ethyl-2,4-dihydroxyphenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl] N-ethenylcarbamate.
What is the SMILES notation for [5-(5-ethyl-2,4-dihydroxyphenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl] N-ethenylcarbamate?
The canonical SMILES for [5-(5-ethyl-2,4-dihydroxyphenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl] N-ethenylcarbamate is C=CNC(=O)Oc1nnc(-c2cc(CC)c(O)cc2O)n1-c1cccc(C)c1.
What is the InChIKey of [5-(5-ethyl-2,4-dihydroxyphenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl] N-ethenylcarbamate?
The InChIKey is BTXKSYZREGWEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-4-13-10-15(17(26)11-16(13)25)18-22-23-19(28-20(27)21-5-2)24(18)14-8-6-7-12(3)9-14/h5-11,25-26H,2,4H2,1,3H3,(H,21,27).
What are the key properties of [5-(5-ethyl-2,4-dihydroxyphenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl] N-ethenylcarbamate?
[5-(5-ethyl-2,4-dihydroxyphenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl] N-ethenylcarbamate has a molecular weight of 380.40 g/mol, XLogP of 3.45, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-ethyl-2,4-dihydroxyphenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl] N-ethenylcarbamate is sourced from PubChem (CID 143232488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).