[1-(2-ethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol

C18H19N3O — CID 82195103

IUPAC[1-(2-ethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol
SMILESCCc1ccccc1-n1nnc(CO)c1-c1ccc(C)cc1
InChIInChI=1S/C18H19N3O/c1-3-14-6-4-5-7-17(14)21-18(16(12-22)19-20-21)15-10-8-13(2)9-11-15/h4-11,22H,3,12H2,1-2H3
InChIKeySYGASTROISEANE-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.30
Rot. Bonds4

About [1-(2-ethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol

[1-(2-ethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol (PubChem CID 82195103) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is [1-(2-ethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-ethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol
PubChem CID82195103
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name[1-(2-ethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol
SMILESCCc1ccccc1-n1nnc(CO)c1-c1ccc(C)cc1
InChIInChI=1S/C18H19N3O/c1-3-14-6-4-5-7-17(14)21-18(16(12-22)19-20-21)15-10-8-13(2)9-11-15/h4-11,22H,3,12H2,1-2H3
InChIKeySYGASTROISEANE-UHFFFAOYSA-N
XLogP3.30
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3-chlorophenyl)-1-(2-ethylphenyl)triazol-4-yl]methanol
CID 94935756
[1-(3-methoxyphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol
CID 56769452
[5-(3,5-difluorophenyl)-1-(2-methylphenyl)triazol-4-yl]methanol
CID 56769489
[1-[(2-chlorophenyl)methyl]-5-(4-methylphenyl)triazol-4-yl]methanol
CID 94943250
[5-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 56769459
2-[1-(2-ethylphenyl)-5-methyltriazol-4-yl]acetic acid
CID 43671428
[1-[4-(dimethylamino)phenyl]-5-(4-methylphenyl)triazol-4-yl]methanol
CID 94939615
5-[4-(hydroxymethyl)-5-phenyltriazol-1-yl]naphthalen-1-ol
CID 94938110
[5-(3-methylphenyl)-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 56769478
[1-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methanol
CID 82203213
5-(3,4-dimethylphenyl)-1-(2-ethylphenyl)triazole-4-carbaldehyde
CID 82195119
1-(2-ethylphenyl)-4,5-dimethyltriazole
CID 58328350

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol?
The IUPAC name of [1-(2-ethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol (CID 82195103) is [1-(2-ethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(2-ethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(2-ethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol is CCc1ccccc1-n1nnc(CO)c1-c1ccc(C)cc1.
What is the InChIKey of [1-(2-ethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol?
The InChIKey is SYGASTROISEANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-3-14-6-4-5-7-17(14)21-18(16(12-22)19-20-21)15-10-8-13(2)9-11-15/h4-11,22H,3,12H2,1-2H3.
What are the key properties of [1-(2-ethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol?
[1-(2-ethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol has a molecular weight of 293.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol is sourced from PubChem (CID 82195103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).