tert-butyl 2-(5-oxo-1,6-dihydropyridazin-2-yl)acetate

C10H16N2O3 — CID 91620371

IUPACtert-butyl 2-(5-oxo-1,6-dihydropyridazin-2-yl)acetate
SMILESCC(C)(C)OC(=O)CN1C=CC(=O)CN1
InChIInChI=1S/C10H16N2O3/c1-10(2,3)15-9(14)7-12-5-4-8(13)6-11-12/h4-5,11H,6-7H2,1-3H3
InChIKeyVOTJAVHYUHAKFW-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.23
Rot. Bonds2

About tert-butyl 2-(5-oxo-1,6-dihydropyridazin-2-yl)acetate

tert-butyl 2-(5-oxo-1,6-dihydropyridazin-2-yl)acetate (PubChem CID 91620371) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is tert-butyl 2-(5-oxo-1,6-dihydropyridazin-2-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(5-oxo-1,6-dihydropyridazin-2-yl)acetate
PubChem CID91620371
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Nametert-butyl 2-(5-oxo-1,6-dihydropyridazin-2-yl)acetate
SMILESCC(C)(C)OC(=O)CN1C=CC(=O)CN1
InChIInChI=1S/C10H16N2O3/c1-10(2,3)15-9(14)7-12-5-4-8(13)6-11-12/h4-5,11H,6-7H2,1-3H3
InChIKeyVOTJAVHYUHAKFW-UHFFFAOYSA-N
XLogP0.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(5-oxo-1,6-dihydropyridazin-2-yl)acetate?
The IUPAC name of tert-butyl 2-(5-oxo-1,6-dihydropyridazin-2-yl)acetate (CID 91620371) is tert-butyl 2-(5-oxo-1,6-dihydropyridazin-2-yl)acetate.
What is the SMILES notation for tert-butyl 2-(5-oxo-1,6-dihydropyridazin-2-yl)acetate?
The canonical SMILES for tert-butyl 2-(5-oxo-1,6-dihydropyridazin-2-yl)acetate is CC(C)(C)OC(=O)CN1C=CC(=O)CN1.
What is the InChIKey of tert-butyl 2-(5-oxo-1,6-dihydropyridazin-2-yl)acetate?
The InChIKey is VOTJAVHYUHAKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-10(2,3)15-9(14)7-12-5-4-8(13)6-11-12/h4-5,11H,6-7H2,1-3H3.
What are the key properties of tert-butyl 2-(5-oxo-1,6-dihydropyridazin-2-yl)acetate?
tert-butyl 2-(5-oxo-1,6-dihydropyridazin-2-yl)acetate has a molecular weight of 212.25 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(5-oxo-1,6-dihydropyridazin-2-yl)acetate is sourced from PubChem (CID 91620371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).