propan-2-yl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate

C10H14N2O4 — CID 105061562

IUPACpropan-2-yl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate
SMILESCOc1ccc(=O)n(CC(=O)OC(C)C)n1
InChIInChI=1S/C10H14N2O4/c1-7(2)16-10(14)6-12-9(13)5-4-8(11-12)15-3/h4-5,7H,6H2,1-3H3
InChIKeyVGNODQSJKLQEDN-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.20
Rot. Bonds4

About propan-2-yl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate

propan-2-yl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate (PubChem CID 105061562) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is propan-2-yl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate
PubChem CID105061562
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Namepropan-2-yl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate
SMILESCOc1ccc(=O)n(CC(=O)OC(C)C)n1
InChIInChI=1S/C10H14N2O4/c1-7(2)16-10(14)6-12-9(13)5-4-8(11-12)15-3/h4-5,7H,6H2,1-3H3
InChIKeyVGNODQSJKLQEDN-UHFFFAOYSA-N
XLogP0.20
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate?
The IUPAC name of propan-2-yl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate (CID 105061562) is propan-2-yl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate?
The canonical SMILES for propan-2-yl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate is COc1ccc(=O)n(CC(=O)OC(C)C)n1.
What is the InChIKey of propan-2-yl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate?
The InChIKey is VGNODQSJKLQEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-7(2)16-10(14)6-12-9(13)5-4-8(11-12)15-3/h4-5,7H,6H2,1-3H3.
What are the key properties of propan-2-yl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate?
propan-2-yl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate has a molecular weight of 226.23 g/mol, XLogP of 0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(3-methoxy-6-oxopyridazin-1-yl)acetate is sourced from PubChem (CID 105061562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).