2-methyl-6-(oxolan-3-yloxy)pyridazin-3-one

C9H12N2O3 — CID 126954652

IUPAC2-methyl-6-(oxolan-3-yloxy)pyridazin-3-one
SMILESCn1nc(OC2CCOC2)ccc1=O
InChIInChI=1S/C9H12N2O3/c1-11-9(12)3-2-8(10-11)14-7-4-5-13-6-7/h2-3,7H,4-6H2,1H3
InChIKeySPXXEVCKRFGVIT-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.05
Rot. Bonds2

About 2-methyl-6-(oxolan-3-yloxy)pyridazin-3-one

2-methyl-6-(oxolan-3-yloxy)pyridazin-3-one (PubChem CID 126954652) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-methyl-6-(oxolan-3-yloxy)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-(oxolan-3-yloxy)pyridazin-3-one
PubChem CID126954652
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-methyl-6-(oxolan-3-yloxy)pyridazin-3-one
SMILESCn1nc(OC2CCOC2)ccc1=O
InChIInChI=1S/C9H12N2O3/c1-11-9(12)3-2-8(10-11)14-7-4-5-13-6-7/h2-3,7H,4-6H2,1H3
InChIKeySPXXEVCKRFGVIT-UHFFFAOYSA-N
XLogP-0.05
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(oxolan-3-yloxy)pyridazin-3-one?
The IUPAC name of 2-methyl-6-(oxolan-3-yloxy)pyridazin-3-one (CID 126954652) is 2-methyl-6-(oxolan-3-yloxy)pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-(oxolan-3-yloxy)pyridazin-3-one?
The canonical SMILES for 2-methyl-6-(oxolan-3-yloxy)pyridazin-3-one is Cn1nc(OC2CCOC2)ccc1=O.
What is the InChIKey of 2-methyl-6-(oxolan-3-yloxy)pyridazin-3-one?
The InChIKey is SPXXEVCKRFGVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-11-9(12)3-2-8(10-11)14-7-4-5-13-6-7/h2-3,7H,4-6H2,1H3.
What are the key properties of 2-methyl-6-(oxolan-3-yloxy)pyridazin-3-one?
2-methyl-6-(oxolan-3-yloxy)pyridazin-3-one has a molecular weight of 196.21 g/mol, XLogP of -0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(oxolan-3-yloxy)pyridazin-3-one is sourced from PubChem (CID 126954652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).