5-(3,4-dimethylphenyl)-1-(2-ethylphenyl)triazole-4-carbaldehyde

C19H19N3O — CID 82195119

IUPAC5-(3,4-dimethylphenyl)-1-(2-ethylphenyl)triazole-4-carbaldehyde
SMILESCCc1ccccc1-n1nnc(C=O)c1-c1ccc(C)c(C)c1
InChIInChI=1S/C19H19N3O/c1-4-15-7-5-6-8-18(15)22-19(17(12-23)20-21-22)16-10-9-13(2)14(3)11-16/h5-12H,4H2,1-3H3
InChIKeyICWIKCOXRXCFHV-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.93
Rot. Bonds4

About 5-(3,4-dimethylphenyl)-1-(2-ethylphenyl)triazole-4-carbaldehyde

5-(3,4-dimethylphenyl)-1-(2-ethylphenyl)triazole-4-carbaldehyde (PubChem CID 82195119) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-1-(2-ethylphenyl)triazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-1-(2-ethylphenyl)triazole-4-carbaldehyde
PubChem CID82195119
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name5-(3,4-dimethylphenyl)-1-(2-ethylphenyl)triazole-4-carbaldehyde
SMILESCCc1ccccc1-n1nnc(C=O)c1-c1ccc(C)c(C)c1
InChIInChI=1S/C19H19N3O/c1-4-15-7-5-6-8-18(15)22-19(17(12-23)20-21-22)16-10-9-13(2)14(3)11-16/h5-12H,4H2,1-3H3
InChIKeyICWIKCOXRXCFHV-UHFFFAOYSA-N
XLogP3.93
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.93
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-methylphenyl)triazole-4-carbaldehyde
CID 82198214
1-(2-ethylphenyl)-5-(2-methylphenyl)triazole-4-carbaldehyde
CID 82195099
1-(2-ethylphenyl)-5-methyltriazole-4-carbaldehyde
CID 82195057
3,5-bis(3,4-dimethylphenyl)-1-(2-ethylphenyl)-4-methylpyrazole
CID 17025689
1-butyl-5-(3,4-dimethylphenyl)triazole-4-carbaldehyde
CID 82205351
1-(2,5-dimethylphenyl)-5-(4-methylphenyl)triazole-4-carbaldehyde
CID 82195826
5-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carbaldehyde
CID 94937028
5-ethyl-1-(2-methylphenyl)triazole-4-carbaldehyde
CID 82198163
5-(3,4-difluorophenyl)-1-(2-fluorophenyl)triazole-4-carbaldehyde
CID 82196544
5-(3,4-dimethylphenyl)-1-(4-methyl-1,3-thiazol-2-yl)triazole-4-carbaldehyde
CID 82221086
1-(2,3-dimethylphenyl)-5-(3-fluorophenyl)triazole-4-carbaldehyde
CID 82195707
[1-(2-ethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol
CID 82195103

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-1-(2-ethylphenyl)triazole-4-carbaldehyde?
The IUPAC name of 5-(3,4-dimethylphenyl)-1-(2-ethylphenyl)triazole-4-carbaldehyde (CID 82195119) is 5-(3,4-dimethylphenyl)-1-(2-ethylphenyl)triazole-4-carbaldehyde.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-1-(2-ethylphenyl)triazole-4-carbaldehyde?
The canonical SMILES for 5-(3,4-dimethylphenyl)-1-(2-ethylphenyl)triazole-4-carbaldehyde is CCc1ccccc1-n1nnc(C=O)c1-c1ccc(C)c(C)c1.
What is the InChIKey of 5-(3,4-dimethylphenyl)-1-(2-ethylphenyl)triazole-4-carbaldehyde?
The InChIKey is ICWIKCOXRXCFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-4-15-7-5-6-8-18(15)22-19(17(12-23)20-21-22)16-10-9-13(2)14(3)11-16/h5-12H,4H2,1-3H3.
What are the key properties of 5-(3,4-dimethylphenyl)-1-(2-ethylphenyl)triazole-4-carbaldehyde?
5-(3,4-dimethylphenyl)-1-(2-ethylphenyl)triazole-4-carbaldehyde has a molecular weight of 305.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-1-(2-ethylphenyl)triazole-4-carbaldehyde is sourced from PubChem (CID 82195119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).