4,5,6-trimethylpyridine-2,3-diimine

C8H11N3 — CID 142838768

IUPAC4,5,6-trimethylpyridine-2,3-diimine
SMILES[H]/N=C1\N=C(C)C(C)=C(C)\C1=N\[H]
InChIInChI=1S/C8H11N3/c1-4-5(2)7(9)8(10)11-6(4)3/h9-10H,1-3H3/b9-7-,10-8-
InChIKeyRMHYKLNMTSZNPB-XOHWUJONSA-N
MW149.20 g/mol
LogP1.79
Rot. Bonds

About 4,5,6-trimethylpyridine-2,3-diimine

4,5,6-trimethylpyridine-2,3-diimine (PubChem CID 142838768) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 4,5,6-trimethylpyridine-2,3-diimine.

Molecular Properties

Compound Name4,5,6-trimethylpyridine-2,3-diimine
PubChem CID142838768
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name4,5,6-trimethylpyridine-2,3-diimine
SMILES[H]/N=C1\N=C(C)C(C)=C(C)\C1=N\[H]
InChIInChI=1S/C8H11N3/c1-4-5(2)7(9)8(10)11-6(4)3/h9-10H,1-3H3/b9-7-,10-8-
InChIKeyRMHYKLNMTSZNPB-XOHWUJONSA-N
XLogP1.79
TPSA60.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4,5,6-trimethylpyridine-2,3-diimine 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 4,5,6-trimethylpyridine-2,3-diimine?
The IUPAC name of 4,5,6-trimethylpyridine-2,3-diimine (CID 142838768) is 4,5,6-trimethylpyridine-2,3-diimine.
What is the SMILES notation for 4,5,6-trimethylpyridine-2,3-diimine?
The canonical SMILES for 4,5,6-trimethylpyridine-2,3-diimine is [H]/N=C1\N=C(C)C(C)=C(C)\C1=N\[H].
What is the InChIKey of 4,5,6-trimethylpyridine-2,3-diimine?
The InChIKey is RMHYKLNMTSZNPB-XOHWUJONSA-N. The full InChI is InChI=1S/C8H11N3/c1-4-5(2)7(9)8(10)11-6(4)3/h9-10H,1-3H3/b9-7-,10-8-.
What are the key properties of 4,5,6-trimethylpyridine-2,3-diimine?
4,5,6-trimethylpyridine-2,3-diimine has a molecular weight of 149.20 g/mol, XLogP of 1.79, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethylpyridine-2,3-diimine is sourced from PubChem (CID 142838768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).