6-methoxy-2-(2-methoxyethyl)pyridazin-3-one

C8H12N2O3 — CID 132587174

IUPAC6-methoxy-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1nc(OC)ccc1=O
InChIInChI=1S/C8H12N2O3/c1-12-6-5-10-8(11)4-3-7(9-10)13-2/h3-4H,5-6H2,1-2H3
InChIKeyPNCJPSSSLRZPAT-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.10
Rot. Bonds4

About 6-methoxy-2-(2-methoxyethyl)pyridazin-3-one

6-methoxy-2-(2-methoxyethyl)pyridazin-3-one (PubChem CID 132587174) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 6-methoxy-2-(2-methoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-methoxy-2-(2-methoxyethyl)pyridazin-3-one
PubChem CID132587174
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name6-methoxy-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1nc(OC)ccc1=O
InChIInChI=1S/C8H12N2O3/c1-12-6-5-10-8(11)4-3-7(9-10)13-2/h3-4H,5-6H2,1-2H3
InChIKeyPNCJPSSSLRZPAT-UHFFFAOYSA-N
XLogP-0.10
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(2-methoxyethyl)pyridazin-3-one?
The IUPAC name of 6-methoxy-2-(2-methoxyethyl)pyridazin-3-one (CID 132587174) is 6-methoxy-2-(2-methoxyethyl)pyridazin-3-one.
What is the SMILES notation for 6-methoxy-2-(2-methoxyethyl)pyridazin-3-one?
The canonical SMILES for 6-methoxy-2-(2-methoxyethyl)pyridazin-3-one is COCCn1nc(OC)ccc1=O.
What is the InChIKey of 6-methoxy-2-(2-methoxyethyl)pyridazin-3-one?
The InChIKey is PNCJPSSSLRZPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-12-6-5-10-8(11)4-3-7(9-10)13-2/h3-4H,5-6H2,1-2H3.
What are the key properties of 6-methoxy-2-(2-methoxyethyl)pyridazin-3-one?
6-methoxy-2-(2-methoxyethyl)pyridazin-3-one has a molecular weight of 184.19 g/mol, XLogP of -0.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(2-methoxyethyl)pyridazin-3-one is sourced from PubChem (CID 132587174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).