1-(2-ethylphenyl)-5-(2-methylphenyl)triazole-4-carbaldehyde

C18H17N3O — CID 82195099

IUPAC1-(2-ethylphenyl)-5-(2-methylphenyl)triazole-4-carbaldehyde
SMILESCCc1ccccc1-n1nnc(C=O)c1-c1ccccc1C
InChIInChI=1S/C18H17N3O/c1-3-14-9-5-7-11-17(14)21-18(16(12-22)19-20-21)15-10-6-4-8-13(15)2/h4-12H,3H2,1-2H3
InChIKeyJHHDIMPKYVWNGT-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.62
Rot. Bonds4

About 1-(2-ethylphenyl)-5-(2-methylphenyl)triazole-4-carbaldehyde

1-(2-ethylphenyl)-5-(2-methylphenyl)triazole-4-carbaldehyde (PubChem CID 82195099) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-5-(2-methylphenyl)triazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(2-ethylphenyl)-5-(2-methylphenyl)triazole-4-carbaldehyde
PubChem CID82195099
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name1-(2-ethylphenyl)-5-(2-methylphenyl)triazole-4-carbaldehyde
SMILESCCc1ccccc1-n1nnc(C=O)c1-c1ccccc1C
InChIInChI=1S/C18H17N3O/c1-3-14-9-5-7-11-17(14)21-18(16(12-22)19-20-21)15-10-6-4-8-13(15)2/h4-12H,3H2,1-2H3
InChIKeyJHHDIMPKYVWNGT-UHFFFAOYSA-N
XLogP3.62
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4-dimethylphenyl)-1-(2-ethylphenyl)triazole-4-carbaldehyde
CID 82195119
1-(2-ethylphenyl)-5-methyltriazole-4-carbaldehyde
CID 82195057
1-(4-ethoxyphenyl)-5-(2-methylphenyl)triazole-4-carbaldehyde
CID 94936891
5-ethyl-1-(2-methylphenyl)triazole-4-carbaldehyde
CID 82198163
5-(2-methylphenyl)-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde
CID 82220814
5-(3,4-dimethylphenyl)-1-(2-methylphenyl)triazole-4-carbaldehyde
CID 82198214
1-hexyl-5-(2-methylphenyl)triazole-4-carbaldehyde
CID 82205983
1-(2,5-dimethylphenyl)-5-(2-fluorophenyl)triazole-4-carbaldehyde
CID 82195829
5-(2-chlorophenyl)-1-[(2-methylphenyl)methyl]triazole-4-carbaldehyde
CID 94943609
5-(2-methylphenyl)-1-(2-pyrrolidin-1-ylethyl)triazole-4-carbaldehyde
CID 82211058
1-(2-ethylphenyl)-4,5-dimethyltriazole
CID 58328350
1-(2,3-dimethylphenyl)-5-(3-fluorophenyl)triazole-4-carbaldehyde
CID 82195707

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-5-(2-methylphenyl)triazole-4-carbaldehyde?
The IUPAC name of 1-(2-ethylphenyl)-5-(2-methylphenyl)triazole-4-carbaldehyde (CID 82195099) is 1-(2-ethylphenyl)-5-(2-methylphenyl)triazole-4-carbaldehyde.
What is the SMILES notation for 1-(2-ethylphenyl)-5-(2-methylphenyl)triazole-4-carbaldehyde?
The canonical SMILES for 1-(2-ethylphenyl)-5-(2-methylphenyl)triazole-4-carbaldehyde is CCc1ccccc1-n1nnc(C=O)c1-c1ccccc1C.
What is the InChIKey of 1-(2-ethylphenyl)-5-(2-methylphenyl)triazole-4-carbaldehyde?
The InChIKey is JHHDIMPKYVWNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-3-14-9-5-7-11-17(14)21-18(16(12-22)19-20-21)15-10-6-4-8-13(15)2/h4-12H,3H2,1-2H3.
What are the key properties of 1-(2-ethylphenyl)-5-(2-methylphenyl)triazole-4-carbaldehyde?
1-(2-ethylphenyl)-5-(2-methylphenyl)triazole-4-carbaldehyde has a molecular weight of 291.35 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-5-(2-methylphenyl)triazole-4-carbaldehyde is sourced from PubChem (CID 82195099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).