5-(C,N-dimethylcarbonimidoyl)-1-methyl-6-oxopyridazine-3-carboxylic acid

C9H11N3O3 — CID 123314698

IUPAC5-(C,N-dimethylcarbonimidoyl)-1-methyl-6-oxopyridazine-3-carboxylic acid
SMILESC/N=C(\C)c1cc(C(=O)O)nn(C)c1=O
InChIInChI=1S/C9H11N3O3/c1-5(10-2)6-4-7(9(14)15)11-12(3)8(6)13/h4H,1-3H3,(H,14,15)/b10-5+
InChIKeyOVKMIDOMVQAMET-BJMVGYQFSA-N
MW209.20 g/mol
LogP-0.08
Rot. Bonds2

About 5-(C,N-dimethylcarbonimidoyl)-1-methyl-6-oxopyridazine-3-carboxylic acid

5-(C,N-dimethylcarbonimidoyl)-1-methyl-6-oxopyridazine-3-carboxylic acid (PubChem CID 123314698) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 5-(C,N-dimethylcarbonimidoyl)-1-methyl-6-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name5-(C,N-dimethylcarbonimidoyl)-1-methyl-6-oxopyridazine-3-carboxylic acid
PubChem CID123314698
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name5-(C,N-dimethylcarbonimidoyl)-1-methyl-6-oxopyridazine-3-carboxylic acid
SMILESC/N=C(\C)c1cc(C(=O)O)nn(C)c1=O
InChIInChI=1S/C9H11N3O3/c1-5(10-2)6-4-7(9(14)15)11-12(3)8(6)13/h4H,1-3H3,(H,14,15)/b10-5+
InChIKeyOVKMIDOMVQAMET-BJMVGYQFSA-N
XLogP-0.08
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(C,N-dimethylcarbonimidoyl)-1-methyl-6-oxopyridazine-3-carboxylic acid?
The IUPAC name of 5-(C,N-dimethylcarbonimidoyl)-1-methyl-6-oxopyridazine-3-carboxylic acid (CID 123314698) is 5-(C,N-dimethylcarbonimidoyl)-1-methyl-6-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 5-(C,N-dimethylcarbonimidoyl)-1-methyl-6-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 5-(C,N-dimethylcarbonimidoyl)-1-methyl-6-oxopyridazine-3-carboxylic acid is C/N=C(\C)c1cc(C(=O)O)nn(C)c1=O.
What is the InChIKey of 5-(C,N-dimethylcarbonimidoyl)-1-methyl-6-oxopyridazine-3-carboxylic acid?
The InChIKey is OVKMIDOMVQAMET-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-5(10-2)6-4-7(9(14)15)11-12(3)8(6)13/h4H,1-3H3,(H,14,15)/b10-5+.
What are the key properties of 5-(C,N-dimethylcarbonimidoyl)-1-methyl-6-oxopyridazine-3-carboxylic acid?
5-(C,N-dimethylcarbonimidoyl)-1-methyl-6-oxopyridazine-3-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(C,N-dimethylcarbonimidoyl)-1-methyl-6-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 123314698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).