2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbaldehyde

C10H7Cl2N3O — CID 175512322

IUPAC2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbaldehyde
SMILESCc1nc(C=O)n(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C10H7Cl2N3O/c1-6-13-10(5-16)15(14-6)9-3-2-7(11)4-8(9)12/h2-5H,1H3
InChIKeyUDQRXPSKKYLFOK-UHFFFAOYSA-N
MW256.09 g/mol
LogP2.70
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbaldehyde

2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbaldehyde (PubChem CID 175512322) has the molecular formula C10H7Cl2N3O and a molecular weight of 256.09 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbaldehyde.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbaldehyde
PubChem CID175512322
Molecular FormulaC10H7Cl2N3O
Molecular Weight256.09 g/mol
Exact Mass255.00
IUPAC Name2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbaldehyde
SMILESCc1nc(C=O)n(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C10H7Cl2N3O/c1-6-13-10(5-16)15(14-6)9-3-2-7(11)4-8(9)12/h2-5H,1H3
InChIKeyUDQRXPSKKYLFOK-UHFFFAOYSA-N
XLogP2.70
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbaldehyde?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbaldehyde (CID 175512322) is 2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbaldehyde.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbaldehyde?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbaldehyde is Cc1nc(C=O)n(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbaldehyde?
The InChIKey is UDQRXPSKKYLFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O/c1-6-13-10(5-16)15(14-6)9-3-2-7(11)4-8(9)12/h2-5H,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbaldehyde?
2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbaldehyde has a molecular weight of 256.09 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbaldehyde is sourced from PubChem (CID 175512322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).