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

C8H11N3 — CID 142838731

IUPAC2,5,6-trimethylpyridine-3,4-diimine
SMILES[H]/N=C1\C(C)=NC(C)=C(C)\C1=N\[H]
InChIInChI=1S/C8H11N3/c1-4-5(2)11-6(3)8(10)7(4)9/h9-10H,1-3H3/b9-7-,10-8+
InChIKeyQHNFNCYALPUSKD-FKJILZIQSA-N
MW149.20 g/mol
LogP1.79
Rot. Bonds

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

2,5,6-trimethylpyridine-3,4-diimine (PubChem CID 142838731) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 2,5,6-trimethylpyridine-3,4-diimine.

Molecular Properties

Compound Name2,5,6-trimethylpyridine-3,4-diimine
PubChem CID142838731
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name2,5,6-trimethylpyridine-3,4-diimine
SMILES[H]/N=C1\C(C)=NC(C)=C(C)\C1=N\[H]
InChIInChI=1S/C8H11N3/c1-4-5(2)11-6(3)8(10)7(4)9/h9-10H,1-3H3/b9-7-,10-8+
InChIKeyQHNFNCYALPUSKD-FKJILZIQSA-N
XLogP1.79
TPSA60.06 Ų
H-Bond Donors2
H-Bond Acceptors3
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 ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethylpyridine-3,4-diimine?
The IUPAC name of 2,5,6-trimethylpyridine-3,4-diimine (CID 142838731) is 2,5,6-trimethylpyridine-3,4-diimine.
What is the SMILES notation for 2,5,6-trimethylpyridine-3,4-diimine?
The canonical SMILES for 2,5,6-trimethylpyridine-3,4-diimine is [H]/N=C1\C(C)=NC(C)=C(C)\C1=N\[H].
What is the InChIKey of 2,5,6-trimethylpyridine-3,4-diimine?
The InChIKey is QHNFNCYALPUSKD-FKJILZIQSA-N. The full InChI is InChI=1S/C8H11N3/c1-4-5(2)11-6(3)8(10)7(4)9/h9-10H,1-3H3/b9-7-,10-8+.
What are the key properties of 2,5,6-trimethylpyridine-3,4-diimine?
2,5,6-trimethylpyridine-3,4-diimine has a molecular weight of 149.20 g/mol, XLogP of 1.79, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethylpyridine-3,4-diimine is sourced from PubChem (CID 142838731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).