3-[(2S)-1-cyclobutylpropan-2-yl]oxy-4-methylpyridazine

C12H18N2O — CID 166773574

IUPAC3-[(2S)-1-cyclobutylpropan-2-yl]oxy-4-methylpyridazine
SMILESCc1ccnnc1O[C@@H](C)CC1CCC1
InChIInChI=1S/C12H18N2O/c1-9-6-7-13-14-12(9)15-10(2)8-11-4-3-5-11/h6-7,10-11H,3-5,8H2,1-2H3/t10-/m0/s1
InChIKeyVJOOYCWQUQJWPC-JTQLQIEISA-N
MW206.29 g/mol
LogP2.74
Rot. Bonds4

About 3-[(2S)-1-cyclobutylpropan-2-yl]oxy-4-methylpyridazine

3-[(2S)-1-cyclobutylpropan-2-yl]oxy-4-methylpyridazine (PubChem CID 166773574) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-[(2S)-1-cyclobutylpropan-2-yl]oxy-4-methylpyridazine.

Molecular Properties

Compound Name3-[(2S)-1-cyclobutylpropan-2-yl]oxy-4-methylpyridazine
PubChem CID166773574
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-[(2S)-1-cyclobutylpropan-2-yl]oxy-4-methylpyridazine
SMILESCc1ccnnc1O[C@@H](C)CC1CCC1
InChIInChI=1S/C12H18N2O/c1-9-6-7-13-14-12(9)15-10(2)8-11-4-3-5-11/h6-7,10-11H,3-5,8H2,1-2H3/t10-/m0/s1
InChIKeyVJOOYCWQUQJWPC-JTQLQIEISA-N
XLogP2.74
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-cyclobutylpropan-2-yl]oxy-4-methylpyridazine?
The IUPAC name of 3-[(2S)-1-cyclobutylpropan-2-yl]oxy-4-methylpyridazine (CID 166773574) is 3-[(2S)-1-cyclobutylpropan-2-yl]oxy-4-methylpyridazine.
What is the SMILES notation for 3-[(2S)-1-cyclobutylpropan-2-yl]oxy-4-methylpyridazine?
The canonical SMILES for 3-[(2S)-1-cyclobutylpropan-2-yl]oxy-4-methylpyridazine is Cc1ccnnc1O[C@@H](C)CC1CCC1.
What is the InChIKey of 3-[(2S)-1-cyclobutylpropan-2-yl]oxy-4-methylpyridazine?
The InChIKey is VJOOYCWQUQJWPC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-6-7-13-14-12(9)15-10(2)8-11-4-3-5-11/h6-7,10-11H,3-5,8H2,1-2H3/t10-/m0/s1.
What are the key properties of 3-[(2S)-1-cyclobutylpropan-2-yl]oxy-4-methylpyridazine?
3-[(2S)-1-cyclobutylpropan-2-yl]oxy-4-methylpyridazine has a molecular weight of 206.29 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-cyclobutylpropan-2-yl]oxy-4-methylpyridazine is sourced from PubChem (CID 166773574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).