5-(6-ethyl-5-iodo-2-pyridinyl)-3-methyltriazole-4-carbaldehyde

C11H11IN4O — CID 169096110

IUPAC5-(6-ethyl-5-iodo-2-pyridinyl)-3-methyltriazole-4-carbaldehyde
SMILESCCc1nc(-c2nnn(C)c2C=O)ccc1I
InChIInChI=1S/C11H11IN4O/c1-3-8-7(12)4-5-9(13-8)11-10(6-17)16(2)15-14-11/h4-6H,3H2,1-2H3
InChIKeyAXCIAYQUYJQKGI-UHFFFAOYSA-N
MW342.14 g/mol
LogP1.86
Rot. Bonds3

About 5-(6-ethyl-5-iodo-2-pyridinyl)-3-methyltriazole-4-carbaldehyde

5-(6-ethyl-5-iodo-2-pyridinyl)-3-methyltriazole-4-carbaldehyde (PubChem CID 169096110) has the molecular formula C11H11IN4O and a molecular weight of 342.14 g/mol. Its IUPAC name is 5-(6-ethyl-5-iodo-2-pyridinyl)-3-methyltriazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(6-ethyl-5-iodo-2-pyridinyl)-3-methyltriazole-4-carbaldehyde
PubChem CID169096110
Molecular FormulaC11H11IN4O
Molecular Weight342.14 g/mol
Exact Mass342.00
IUPAC Name5-(6-ethyl-5-iodo-2-pyridinyl)-3-methyltriazole-4-carbaldehyde
SMILESCCc1nc(-c2nnn(C)c2C=O)ccc1I
InChIInChI=1S/C11H11IN4O/c1-3-8-7(12)4-5-9(13-8)11-10(6-17)16(2)15-14-11/h4-6H,3H2,1-2H3
InChIKeyAXCIAYQUYJQKGI-UHFFFAOYSA-N
XLogP1.86
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(6-ethyl-5-iodo-2-pyridinyl)-3-methyltriazole-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

Frequently Asked Questions

What is the IUPAC name of 5-(6-ethyl-5-iodo-2-pyridinyl)-3-methyltriazole-4-carbaldehyde?
The IUPAC name of 5-(6-ethyl-5-iodo-2-pyridinyl)-3-methyltriazole-4-carbaldehyde (CID 169096110) is 5-(6-ethyl-5-iodo-2-pyridinyl)-3-methyltriazole-4-carbaldehyde.
What is the SMILES notation for 5-(6-ethyl-5-iodo-2-pyridinyl)-3-methyltriazole-4-carbaldehyde?
The canonical SMILES for 5-(6-ethyl-5-iodo-2-pyridinyl)-3-methyltriazole-4-carbaldehyde is CCc1nc(-c2nnn(C)c2C=O)ccc1I.
What is the InChIKey of 5-(6-ethyl-5-iodo-2-pyridinyl)-3-methyltriazole-4-carbaldehyde?
The InChIKey is AXCIAYQUYJQKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN4O/c1-3-8-7(12)4-5-9(13-8)11-10(6-17)16(2)15-14-11/h4-6H,3H2,1-2H3.
What are the key properties of 5-(6-ethyl-5-iodo-2-pyridinyl)-3-methyltriazole-4-carbaldehyde?
5-(6-ethyl-5-iodo-2-pyridinyl)-3-methyltriazole-4-carbaldehyde has a molecular weight of 342.14 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-ethyl-5-iodo-2-pyridinyl)-3-methyltriazole-4-carbaldehyde is sourced from PubChem (CID 169096110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).