5-(3-methylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carbaldehyde

C19H19N3O — CID 82197639

IUPAC5-(3-methylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carbaldehyde
SMILESCc1cccc(-c2c(C=O)nnn2-c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C19H19N3O/c1-13(2)15-7-9-17(10-8-15)22-19(18(12-23)20-21-22)16-6-4-5-14(3)11-16/h4-13H,1-3H3
InChIKeyUSTBXYWSLIZXPJ-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.18
Rot. Bonds4

About 5-(3-methylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carbaldehyde

5-(3-methylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carbaldehyde (PubChem CID 82197639) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-(3-methylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(3-methylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carbaldehyde
PubChem CID82197639
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name5-(3-methylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carbaldehyde
SMILESCc1cccc(-c2c(C=O)nnn2-c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C19H19N3O/c1-13(2)15-7-9-17(10-8-15)22-19(18(12-23)20-21-22)16-6-4-5-14(3)11-16/h4-13H,1-3H3
InChIKeyUSTBXYWSLIZXPJ-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(3-methylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methylphenyl)-5-pyridin-4-yltriazole-4-carbaldehyde
CID 82198019
5-(4-chlorophenyl)-1-(4-methylphenyl)triazole-4-carbaldehyde
CID 82199167
1-(3-chlorophenyl)-5-(3-fluorophenyl)triazole-4-carbaldehyde
CID 82200370
5-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carbaldehyde
CID 94937028
[5-(4-methylphenyl)-1-(4-propan-2-ylphenyl)triazol-4-yl]methanamine
CID 94938003
1-[(4-fluorophenyl)methyl]-5-(3-methylphenyl)triazole-4-carbaldehyde
CID 82203525
1-(3,5-dimethylphenyl)-5-pyridin-4-yltriazole-4-carbaldehyde
CID 82198767
5-(3,4-difluorophenyl)-1-(3,5-dimethylphenyl)triazole-4-carbaldehyde
CID 94938666
1,5-bis(4-methoxyphenyl)triazole-4-carbaldehyde
CID 94937024
(3-methylphenyl) 5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxylate
CID 43836206
5-(3-chlorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carbaldehyde
CID 94962721
1-(2,5-dimethylphenyl)-5-(4-methylphenyl)triazole-4-carbaldehyde
CID 82195826

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carbaldehyde?
The IUPAC name of 5-(3-methylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carbaldehyde (CID 82197639) is 5-(3-methylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carbaldehyde.
What is the SMILES notation for 5-(3-methylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carbaldehyde?
The canonical SMILES for 5-(3-methylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carbaldehyde is Cc1cccc(-c2c(C=O)nnn2-c2ccc(C(C)C)cc2)c1.
What is the InChIKey of 5-(3-methylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carbaldehyde?
The InChIKey is USTBXYWSLIZXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-13(2)15-7-9-17(10-8-15)22-19(18(12-23)20-21-22)16-6-4-5-14(3)11-16/h4-13H,1-3H3.
What are the key properties of 5-(3-methylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carbaldehyde?
5-(3-methylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carbaldehyde has a molecular weight of 305.38 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carbaldehyde is sourced from PubChem (CID 82197639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).