methyl 2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate

C10H14N2O3 — CID 150779723

IUPACmethyl 2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate
SMILESCOC(=O)c1ccnn(CC(C)C)c1=O
InChIInChI=1S/C10H14N2O3/c1-7(2)6-12-9(13)8(4-5-11-12)10(14)15-3/h4-5,7H,6H2,1-3H3
InChIKeyKBPRSLBRLNMZLW-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.69
Rot. Bonds3

About methyl 2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate

methyl 2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate (PubChem CID 150779723) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate
PubChem CID150779723
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Namemethyl 2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate
SMILESCOC(=O)c1ccnn(CC(C)C)c1=O
InChIInChI=1S/C10H14N2O3/c1-7(2)6-12-9(13)8(4-5-11-12)10(14)15-3/h4-5,7H,6H2,1-3H3
InChIKeyKBPRSLBRLNMZLW-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate?
The IUPAC name of methyl 2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate (CID 150779723) is methyl 2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate.
What is the SMILES notation for methyl 2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate?
The canonical SMILES for methyl 2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate is COC(=O)c1ccnn(CC(C)C)c1=O.
What is the InChIKey of methyl 2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate?
The InChIKey is KBPRSLBRLNMZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7(2)6-12-9(13)8(4-5-11-12)10(14)15-3/h4-5,7H,6H2,1-3H3.
What are the key properties of methyl 2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate?
methyl 2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate is sourced from PubChem (CID 150779723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).