methyl 1,5-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxylate

C8H12N2O3 — CID 139512243

IUPACmethyl 1,5-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
SMILESCOC(=O)C1=NN(C)C(=O)C(C)C1
InChIInChI=1S/C8H12N2O3/c1-5-4-6(8(12)13-3)9-10(2)7(5)11/h5H,4H2,1-3H3
InChIKeyHEMFXMFPRUZSCO-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.01
Rot. Bonds1

About methyl 1,5-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxylate

methyl 1,5-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxylate (PubChem CID 139512243) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is methyl 1,5-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1,5-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
PubChem CID139512243
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Namemethyl 1,5-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
SMILESCOC(=O)C1=NN(C)C(=O)C(C)C1
InChIInChI=1S/C8H12N2O3/c1-5-4-6(8(12)13-3)9-10(2)7(5)11/h5H,4H2,1-3H3
InChIKeyHEMFXMFPRUZSCO-UHFFFAOYSA-N
XLogP0.01
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1,5-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxylate?
The IUPAC name of methyl 1,5-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxylate (CID 139512243) is methyl 1,5-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxylate.
What is the SMILES notation for methyl 1,5-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxylate?
The canonical SMILES for methyl 1,5-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxylate is COC(=O)C1=NN(C)C(=O)C(C)C1.
What is the InChIKey of methyl 1,5-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxylate?
The InChIKey is HEMFXMFPRUZSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5-4-6(8(12)13-3)9-10(2)7(5)11/h5H,4H2,1-3H3.
What are the key properties of methyl 1,5-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxylate?
methyl 1,5-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxylate has a molecular weight of 184.19 g/mol, XLogP of 0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,5-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxylate is sourced from PubChem (CID 139512243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).