6-methoxy-2-(2-propan-2-yloxyethyl)pyridazin-3-one

C10H16N2O3 — CID 167842083

IUPAC6-methoxy-2-(2-propan-2-yloxyethyl)pyridazin-3-one
SMILESCOc1ccc(=O)n(CCOC(C)C)n1
InChIInChI=1S/C10H16N2O3/c1-8(2)15-7-6-12-10(13)5-4-9(11-12)14-3/h4-5,8H,6-7H2,1-3H3
InChIKeyBHRKBPCGMCFHDH-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.68
Rot. Bonds5

About 6-methoxy-2-(2-propan-2-yloxyethyl)pyridazin-3-one

6-methoxy-2-(2-propan-2-yloxyethyl)pyridazin-3-one (PubChem CID 167842083) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 6-methoxy-2-(2-propan-2-yloxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-methoxy-2-(2-propan-2-yloxyethyl)pyridazin-3-one
PubChem CID167842083
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name6-methoxy-2-(2-propan-2-yloxyethyl)pyridazin-3-one
SMILESCOc1ccc(=O)n(CCOC(C)C)n1
InChIInChI=1S/C10H16N2O3/c1-8(2)15-7-6-12-10(13)5-4-9(11-12)14-3/h4-5,8H,6-7H2,1-3H3
InChIKeyBHRKBPCGMCFHDH-UHFFFAOYSA-N
XLogP0.68
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.68
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-propan-2-yloxyethyl)pyridazin-3-one?
The IUPAC name of 6-methoxy-2-(2-propan-2-yloxyethyl)pyridazin-3-one (CID 167842083) is 6-methoxy-2-(2-propan-2-yloxyethyl)pyridazin-3-one.
What is the SMILES notation for 6-methoxy-2-(2-propan-2-yloxyethyl)pyridazin-3-one?
The canonical SMILES for 6-methoxy-2-(2-propan-2-yloxyethyl)pyridazin-3-one is COc1ccc(=O)n(CCOC(C)C)n1.
What is the InChIKey of 6-methoxy-2-(2-propan-2-yloxyethyl)pyridazin-3-one?
The InChIKey is BHRKBPCGMCFHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-8(2)15-7-6-12-10(13)5-4-9(11-12)14-3/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 6-methoxy-2-(2-propan-2-yloxyethyl)pyridazin-3-one?
6-methoxy-2-(2-propan-2-yloxyethyl)pyridazin-3-one has a molecular weight of 212.25 g/mol, XLogP of 0.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(2-propan-2-yloxyethyl)pyridazin-3-one is sourced from PubChem (CID 167842083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).