1-methyl-6-oxopyridazine-3-carboxylate

C6H5N2O3- — CID 2366694

IUPAC1-methyl-6-oxopyridazine-3-carboxylate
SMILESCn1nc(C(=O)[O-])ccc1=O
InChIInChI=1S/C6H6N2O3/c1-8-5(9)3-2-4(7-8)6(10)11/h2-3H,1H3,(H,10,11)/p-1
InChIKeyVSWNRKPYWTWWBV-UHFFFAOYSA-M
MW153.12 g/mol
LogP-1.86
Rot. Bonds1

About 1-methyl-6-oxopyridazine-3-carboxylate

1-methyl-6-oxopyridazine-3-carboxylate (PubChem CID 2366694) has the molecular formula C6H5N2O3- and a molecular weight of 153.12 g/mol. Its IUPAC name is 1-methyl-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Name1-methyl-6-oxopyridazine-3-carboxylate
PubChem CID2366694
Molecular FormulaC6H5N2O3-
Molecular Weight153.12 g/mol
Exact Mass153.03
IUPAC Name1-methyl-6-oxopyridazine-3-carboxylate
SMILESCn1nc(C(=O)[O-])ccc1=O
InChIInChI=1S/C6H6N2O3/c1-8-5(9)3-2-4(7-8)6(10)11/h2-3H,1H3,(H,10,11)/p-1
InChIKeyVSWNRKPYWTWWBV-UHFFFAOYSA-M
XLogP-1.86
TPSA75.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.12
LogP ≤ 5-1.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxopyridazine-3-carboxylate?
The IUPAC name of 1-methyl-6-oxopyridazine-3-carboxylate (CID 2366694) is 1-methyl-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for 1-methyl-6-oxopyridazine-3-carboxylate?
The canonical SMILES for 1-methyl-6-oxopyridazine-3-carboxylate is Cn1nc(C(=O)[O-])ccc1=O.
What is the InChIKey of 1-methyl-6-oxopyridazine-3-carboxylate?
The InChIKey is VSWNRKPYWTWWBV-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6N2O3/c1-8-5(9)3-2-4(7-8)6(10)11/h2-3H,1H3,(H,10,11)/p-1.
What are the key properties of 1-methyl-6-oxopyridazine-3-carboxylate?
1-methyl-6-oxopyridazine-3-carboxylate has a molecular weight of 153.12 g/mol, XLogP of -1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 2366694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).