6-cyclobutyloxy-2-methylpyridazin-3-one

C9H12N2O2 — CID 126954648

IUPAC6-cyclobutyloxy-2-methylpyridazin-3-one
SMILESCn1nc(OC2CCC2)ccc1=O
InChIInChI=1S/C9H12N2O2/c1-11-9(12)6-5-8(10-11)13-7-3-2-4-7/h5-7H,2-4H2,1H3
InChIKeyZYSQKRWORCBGAT-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.71
Rot. Bonds2

About 6-cyclobutyloxy-2-methylpyridazin-3-one

6-cyclobutyloxy-2-methylpyridazin-3-one (PubChem CID 126954648) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 6-cyclobutyloxy-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-cyclobutyloxy-2-methylpyridazin-3-one
PubChem CID126954648
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name6-cyclobutyloxy-2-methylpyridazin-3-one
SMILESCn1nc(OC2CCC2)ccc1=O
InChIInChI=1S/C9H12N2O2/c1-11-9(12)6-5-8(10-11)13-7-3-2-4-7/h5-7H,2-4H2,1H3
InChIKeyZYSQKRWORCBGAT-UHFFFAOYSA-N
XLogP0.71
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyloxy-2-methylpyridazin-3-one?
The IUPAC name of 6-cyclobutyloxy-2-methylpyridazin-3-one (CID 126954648) is 6-cyclobutyloxy-2-methylpyridazin-3-one.
What is the SMILES notation for 6-cyclobutyloxy-2-methylpyridazin-3-one?
The canonical SMILES for 6-cyclobutyloxy-2-methylpyridazin-3-one is Cn1nc(OC2CCC2)ccc1=O.
What is the InChIKey of 6-cyclobutyloxy-2-methylpyridazin-3-one?
The InChIKey is ZYSQKRWORCBGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11-9(12)6-5-8(10-11)13-7-3-2-4-7/h5-7H,2-4H2,1H3.
What are the key properties of 6-cyclobutyloxy-2-methylpyridazin-3-one?
6-cyclobutyloxy-2-methylpyridazin-3-one has a molecular weight of 180.21 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyloxy-2-methylpyridazin-3-one is sourced from PubChem (CID 126954648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).