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

C9H12N2O3 — CID 62849244

IUPACpropan-2-yl 2-(6-oxopyridazin-1-yl)acetate
SMILESCC(C)OC(=O)Cn1ncccc1=O
InChIInChI=1S/C9H12N2O3/c1-7(2)14-9(13)6-11-8(12)4-3-5-10-11/h3-5,7H,6H2,1-2H3
InChIKeySSOLCIMJVPPZPP-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.19
Rot. Bonds3

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

propan-2-yl 2-(6-oxopyridazin-1-yl)acetate (PubChem CID 62849244) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is propan-2-yl 2-(6-oxopyridazin-1-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(6-oxopyridazin-1-yl)acetate
PubChem CID62849244
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Namepropan-2-yl 2-(6-oxopyridazin-1-yl)acetate
SMILESCC(C)OC(=O)Cn1ncccc1=O
InChIInChI=1S/C9H12N2O3/c1-7(2)14-9(13)6-11-8(12)4-3-5-10-11/h3-5,7H,6H2,1-2H3
InChIKeySSOLCIMJVPPZPP-UHFFFAOYSA-N
XLogP0.19
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(6-oxopyridazin-1-yl)acetate?
The IUPAC name of propan-2-yl 2-(6-oxopyridazin-1-yl)acetate (CID 62849244) is propan-2-yl 2-(6-oxopyridazin-1-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(6-oxopyridazin-1-yl)acetate?
The canonical SMILES for propan-2-yl 2-(6-oxopyridazin-1-yl)acetate is CC(C)OC(=O)Cn1ncccc1=O.
What is the InChIKey of propan-2-yl 2-(6-oxopyridazin-1-yl)acetate?
The InChIKey is SSOLCIMJVPPZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-7(2)14-9(13)6-11-8(12)4-3-5-10-11/h3-5,7H,6H2,1-2H3.
What are the key properties of propan-2-yl 2-(6-oxopyridazin-1-yl)acetate?
propan-2-yl 2-(6-oxopyridazin-1-yl)acetate has a molecular weight of 196.21 g/mol, XLogP of 0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(6-oxopyridazin-1-yl)acetate is sourced from PubChem (CID 62849244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).