methyl 1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylate

C10H9N3O3 — CID 129036154

IUPACmethyl 1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylate
SMILESCOC(=O)c1nn(C)c2cccnc2c1=O
InChIInChI=1S/C10H9N3O3/c1-13-6-4-3-5-11-7(6)9(14)8(12-13)10(15)16-2/h3-5H,1-2H3
InChIKeyXTHGNSJAQCBAOS-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.12
Rot. Bonds1

About methyl 1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylate

methyl 1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylate (PubChem CID 129036154) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is methyl 1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylate
PubChem CID129036154
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Namemethyl 1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylate
SMILESCOC(=O)c1nn(C)c2cccnc2c1=O
InChIInChI=1S/C10H9N3O3/c1-13-6-4-3-5-11-7(6)9(14)8(12-13)10(15)16-2/h3-5H,1-2H3
InChIKeyXTHGNSJAQCBAOS-UHFFFAOYSA-N
XLogP0.12
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 87392386

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylate?
The IUPAC name of methyl 1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylate (CID 129036154) is methyl 1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylate?
The canonical SMILES for methyl 1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylate is COC(=O)c1nn(C)c2cccnc2c1=O.
What is the InChIKey of methyl 1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylate?
The InChIKey is XTHGNSJAQCBAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-13-6-4-3-5-11-7(6)9(14)8(12-13)10(15)16-2/h3-5H,1-2H3.
What are the key properties of methyl 1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylate?
methyl 1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylate has a molecular weight of 219.20 g/mol, XLogP of 0.12, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylate is sourced from PubChem (CID 129036154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).