ethane;4-methylpyridazine

C9H18N2 — CID 91080152

IUPACethane;4-methylpyridazine
SMILESCC.CC.Cc1ccnnc1
InChIInChI=1S/C5H6N2.2C2H6/c1-5-2-3-6-7-4-5;2*1-2/h2-4H,1H3;2*1-2H3
InChIKeyJMNXJPJKKSFFIX-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.84
Rot. Bonds

About ethane;4-methylpyridazine

ethane;4-methylpyridazine (PubChem CID 91080152) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;4-methylpyridazine.

Molecular Properties

Compound Nameethane;4-methylpyridazine
PubChem CID91080152
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;4-methylpyridazine
SMILESCC.CC.Cc1ccnnc1
InChIInChI=1S/C5H6N2.2C2H6/c1-5-2-3-6-7-4-5;2*1-2/h2-4H,1H3;2*1-2H3
InChIKeyJMNXJPJKKSFFIX-UHFFFAOYSA-N
XLogP2.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;4-methylpyridazine 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 ethane;4-methylpyridazine?
The IUPAC name of ethane;4-methylpyridazine (CID 91080152) is ethane;4-methylpyridazine.
What is the SMILES notation for ethane;4-methylpyridazine?
The canonical SMILES for ethane;4-methylpyridazine is CC.CC.Cc1ccnnc1.
What is the InChIKey of ethane;4-methylpyridazine?
The InChIKey is JMNXJPJKKSFFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2.2C2H6/c1-5-2-3-6-7-4-5;2*1-2/h2-4H,1H3;2*1-2H3.
What are the key properties of ethane;4-methylpyridazine?
ethane;4-methylpyridazine has a molecular weight of 154.26 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methylpyridazine is sourced from PubChem (CID 91080152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).