4-[5-amino-4-(3-methylphenyl)-1,2,4-triazol-3-yl]-6-ethylbenzene-1,3-diol;ethane

C19H24N4O2 — CID 143589451

IUPAC4-[5-amino-4-(3-methylphenyl)-1,2,4-triazol-3-yl]-6-ethylbenzene-1,3-diol;ethane
SMILESCC.CCc1cc(-c2nnc(N)n2-c2cccc(C)c2)c(O)cc1O
InChIInChI=1S/C17H18N4O2.C2H6/c1-3-11-8-13(15(23)9-14(11)22)16-19-20-17(18)21(16)12-6-4-5-10(2)7-12;1-2/h4-9,22-23H,3H2,1-2H3,(H2,18,20);1-2H3
InChIKeyCCSJXCRQBCUSMD-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.82
Rot. Bonds3

About 4-[5-amino-4-(3-methylphenyl)-1,2,4-triazol-3-yl]-6-ethylbenzene-1,3-diol;ethane

4-[5-amino-4-(3-methylphenyl)-1,2,4-triazol-3-yl]-6-ethylbenzene-1,3-diol;ethane (PubChem CID 143589451) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-[5-amino-4-(3-methylphenyl)-1,2,4-triazol-3-yl]-6-ethylbenzene-1,3-diol;ethane.

Molecular Properties

Compound Name4-[5-amino-4-(3-methylphenyl)-1,2,4-triazol-3-yl]-6-ethylbenzene-1,3-diol;ethane
PubChem CID143589451
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name4-[5-amino-4-(3-methylphenyl)-1,2,4-triazol-3-yl]-6-ethylbenzene-1,3-diol;ethane
SMILESCC.CCc1cc(-c2nnc(N)n2-c2cccc(C)c2)c(O)cc1O
InChIInChI=1S/C17H18N4O2.C2H6/c1-3-11-8-13(15(23)9-14(11)22)16-19-20-17(18)21(16)12-6-4-5-10(2)7-12;1-2/h4-9,22-23H,3H2,1-2H3,(H2,18,20);1-2H3
InChIKeyCCSJXCRQBCUSMD-UHFFFAOYSA-N
XLogP3.82
TPSA97.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[5-amino-4-(3-methylphenyl)-1,2,4-triazol-3-yl]-6-ethylbenzene-1,3-diol;ethane with MolForge

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Related Compounds

[5-(5-ethyl-2,4-dihydroxyphenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl] N-ethenylcarbamate
CID 143232488
3-(5-ethyl-4-hydroxy-2-methylphenyl)-4-(3-methylphenyl)-1H-1,2,4-triazol-5-one
CID 143589751
ethyl 2-[[4,5-bis(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 7123526
2-ethylphenol;1,3-xylene
CID 174948528
ethane;2-ethyl-5-methylphenol
CID 142001660
3-(5-ethyl-2,4-dihydroxyphenyl)-4-(5-ethylnaphthalen-1-yl)-1H-1,2,4-triazole-5-thione
CID 136597480
4-chloro-1-(3-methylphenyl)benzimidazol-2-amine
CID 104836856
2-amino-5-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)phenol
CID 61360966
N-(2-ethyl-6-methylphenyl)-2-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2194196
ethyl N-[2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]carbamate
CID 7257180
N-(2-ethylphenyl)-2-[[4-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 126107785
5-(methylamino)-4-(3-methylphenyl)-1,2,4-triazole-3-carboxylic acid
CID 83895139

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-4-(3-methylphenyl)-1,2,4-triazol-3-yl]-6-ethylbenzene-1,3-diol;ethane?
The IUPAC name of 4-[5-amino-4-(3-methylphenyl)-1,2,4-triazol-3-yl]-6-ethylbenzene-1,3-diol;ethane (CID 143589451) is 4-[5-amino-4-(3-methylphenyl)-1,2,4-triazol-3-yl]-6-ethylbenzene-1,3-diol;ethane.
What is the SMILES notation for 4-[5-amino-4-(3-methylphenyl)-1,2,4-triazol-3-yl]-6-ethylbenzene-1,3-diol;ethane?
The canonical SMILES for 4-[5-amino-4-(3-methylphenyl)-1,2,4-triazol-3-yl]-6-ethylbenzene-1,3-diol;ethane is CC.CCc1cc(-c2nnc(N)n2-c2cccc(C)c2)c(O)cc1O.
What is the InChIKey of 4-[5-amino-4-(3-methylphenyl)-1,2,4-triazol-3-yl]-6-ethylbenzene-1,3-diol;ethane?
The InChIKey is CCSJXCRQBCUSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2.C2H6/c1-3-11-8-13(15(23)9-14(11)22)16-19-20-17(18)21(16)12-6-4-5-10(2)7-12;1-2/h4-9,22-23H,3H2,1-2H3,(H2,18,20);1-2H3.
What are the key properties of 4-[5-amino-4-(3-methylphenyl)-1,2,4-triazol-3-yl]-6-ethylbenzene-1,3-diol;ethane?
4-[5-amino-4-(3-methylphenyl)-1,2,4-triazol-3-yl]-6-ethylbenzene-1,3-diol;ethane has a molecular weight of 340.43 g/mol, XLogP of 3.82, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-4-(3-methylphenyl)-1,2,4-triazol-3-yl]-6-ethylbenzene-1,3-diol;ethane is sourced from PubChem (CID 143589451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).