2,3,5-trimethyl-1H-pyridazine

C7H12N2 — CID 146392503

IUPAC2,3,5-trimethyl-1H-pyridazine
SMILESCC1=CNN(C)C(C)=C1
InChIInChI=1S/C7H12N2/c1-6-4-7(2)9(3)8-5-6/h4-5,8H,1-3H3
InChIKeyMAYJKRDXMBFIHM-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.24
Rot. Bonds

About 2,3,5-trimethyl-1H-pyridazine

2,3,5-trimethyl-1H-pyridazine (PubChem CID 146392503) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2,3,5-trimethyl-1H-pyridazine.

Molecular Properties

Compound Name2,3,5-trimethyl-1H-pyridazine
PubChem CID146392503
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2,3,5-trimethyl-1H-pyridazine
SMILESCC1=CNN(C)C(C)=C1
InChIInChI=1S/C7H12N2/c1-6-4-7(2)9(3)8-5-6/h4-5,8H,1-3H3
InChIKeyMAYJKRDXMBFIHM-UHFFFAOYSA-N
XLogP1.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3,5-trimethyl-1H-pyridazine 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 2,3,5-trimethyl-1H-pyridazine?
The IUPAC name of 2,3,5-trimethyl-1H-pyridazine (CID 146392503) is 2,3,5-trimethyl-1H-pyridazine.
What is the SMILES notation for 2,3,5-trimethyl-1H-pyridazine?
The canonical SMILES for 2,3,5-trimethyl-1H-pyridazine is CC1=CNN(C)C(C)=C1.
What is the InChIKey of 2,3,5-trimethyl-1H-pyridazine?
The InChIKey is MAYJKRDXMBFIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-6-4-7(2)9(3)8-5-6/h4-5,8H,1-3H3.
What are the key properties of 2,3,5-trimethyl-1H-pyridazine?
2,3,5-trimethyl-1H-pyridazine has a molecular weight of 124.19 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-1H-pyridazine is sourced from PubChem (CID 146392503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).