3-cyclobutyl-5-methylpyridazine

C9H12N2 — CID 134606945

IUPAC3-cyclobutyl-5-methylpyridazine
SMILESCc1cnnc(C2CCC2)c1
InChIInChI=1S/C9H12N2/c1-7-5-9(11-10-6-7)8-3-2-4-8/h5-6,8H,2-4H2,1H3
InChIKeyCUFVFDIHRJUMGL-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.05
Rot. Bonds1

About 3-cyclobutyl-5-methylpyridazine

3-cyclobutyl-5-methylpyridazine (PubChem CID 134606945) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 3-cyclobutyl-5-methylpyridazine.

Molecular Properties

Compound Name3-cyclobutyl-5-methylpyridazine
PubChem CID134606945
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name3-cyclobutyl-5-methylpyridazine
SMILESCc1cnnc(C2CCC2)c1
InChIInChI=1S/C9H12N2/c1-7-5-9(11-10-6-7)8-3-2-4-8/h5-6,8H,2-4H2,1H3
InChIKeyCUFVFDIHRJUMGL-UHFFFAOYSA-N
XLogP2.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-5-methylpyridazine?
The IUPAC name of 3-cyclobutyl-5-methylpyridazine (CID 134606945) is 3-cyclobutyl-5-methylpyridazine.
What is the SMILES notation for 3-cyclobutyl-5-methylpyridazine?
The canonical SMILES for 3-cyclobutyl-5-methylpyridazine is Cc1cnnc(C2CCC2)c1.
What is the InChIKey of 3-cyclobutyl-5-methylpyridazine?
The InChIKey is CUFVFDIHRJUMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-7-5-9(11-10-6-7)8-3-2-4-8/h5-6,8H,2-4H2,1H3.
What are the key properties of 3-cyclobutyl-5-methylpyridazine?
3-cyclobutyl-5-methylpyridazine has a molecular weight of 148.21 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-5-methylpyridazine is sourced from PubChem (CID 134606945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).