ethyl 3-oxo-2-propan-2-ylpyridazine-4-carboxylate

C10H14N2O3 — CID 172707364

IUPACethyl 3-oxo-2-propan-2-ylpyridazine-4-carboxylate
SMILESCCOC(=O)c1ccnn(C(C)C)c1=O
InChIInChI=1S/C10H14N2O3/c1-4-15-10(14)8-5-6-11-12(7(2)3)9(8)13/h5-7H,4H2,1-3H3
InChIKeyDTPYXRIZZZLELC-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.00
Rot. Bonds3

About ethyl 3-oxo-2-propan-2-ylpyridazine-4-carboxylate

ethyl 3-oxo-2-propan-2-ylpyridazine-4-carboxylate (PubChem CID 172707364) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 3-oxo-2-propan-2-ylpyridazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-oxo-2-propan-2-ylpyridazine-4-carboxylate
PubChem CID172707364
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nameethyl 3-oxo-2-propan-2-ylpyridazine-4-carboxylate
SMILESCCOC(=O)c1ccnn(C(C)C)c1=O
InChIInChI=1S/C10H14N2O3/c1-4-15-10(14)8-5-6-11-12(7(2)3)9(8)13/h5-7H,4H2,1-3H3
InChIKeyDTPYXRIZZZLELC-UHFFFAOYSA-N
XLogP1.00
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-oxo-2-propan-2-ylpyridazine-4-carboxylate?
The IUPAC name of ethyl 3-oxo-2-propan-2-ylpyridazine-4-carboxylate (CID 172707364) is ethyl 3-oxo-2-propan-2-ylpyridazine-4-carboxylate.
What is the SMILES notation for ethyl 3-oxo-2-propan-2-ylpyridazine-4-carboxylate?
The canonical SMILES for ethyl 3-oxo-2-propan-2-ylpyridazine-4-carboxylate is CCOC(=O)c1ccnn(C(C)C)c1=O.
What is the InChIKey of ethyl 3-oxo-2-propan-2-ylpyridazine-4-carboxylate?
The InChIKey is DTPYXRIZZZLELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-4-15-10(14)8-5-6-11-12(7(2)3)9(8)13/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 3-oxo-2-propan-2-ylpyridazine-4-carboxylate?
ethyl 3-oxo-2-propan-2-ylpyridazine-4-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-oxo-2-propan-2-ylpyridazine-4-carboxylate is sourced from PubChem (CID 172707364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).