6-(methoxycarbonylamino)pyridazine-3-carboxylic acid

C7H7N3O4 — CID 118469876

IUPAC6-(methoxycarbonylamino)pyridazine-3-carboxylic acid
SMILESCOC(=O)Nc1ccc(C(=O)O)nn1
InChIInChI=1S/C7H7N3O4/c1-14-7(13)8-5-3-2-4(6(11)12)9-10-5/h2-3H,1H3,(H,11,12)(H,8,10,13)
InChIKeyANFNOAUAUWWSKY-UHFFFAOYSA-N
MW197.15 g/mol
LogP0.35
Rot. Bonds2

About 6-(methoxycarbonylamino)pyridazine-3-carboxylic acid

6-(methoxycarbonylamino)pyridazine-3-carboxylic acid (PubChem CID 118469876) has the molecular formula C7H7N3O4 and a molecular weight of 197.15 g/mol. Its IUPAC name is 6-(methoxycarbonylamino)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(methoxycarbonylamino)pyridazine-3-carboxylic acid
PubChem CID118469876
Molecular FormulaC7H7N3O4
Molecular Weight197.15 g/mol
Exact Mass197.04
IUPAC Name6-(methoxycarbonylamino)pyridazine-3-carboxylic acid
SMILESCOC(=O)Nc1ccc(C(=O)O)nn1
InChIInChI=1S/C7H7N3O4/c1-14-7(13)8-5-3-2-4(6(11)12)9-10-5/h2-3H,1H3,(H,11,12)(H,8,10,13)
InChIKeyANFNOAUAUWWSKY-UHFFFAOYSA-N
XLogP0.35
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxycarbonylamino)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(methoxycarbonylamino)pyridazine-3-carboxylic acid (CID 118469876) is 6-(methoxycarbonylamino)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(methoxycarbonylamino)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(methoxycarbonylamino)pyridazine-3-carboxylic acid is COC(=O)Nc1ccc(C(=O)O)nn1.
What is the InChIKey of 6-(methoxycarbonylamino)pyridazine-3-carboxylic acid?
The InChIKey is ANFNOAUAUWWSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O4/c1-14-7(13)8-5-3-2-4(6(11)12)9-10-5/h2-3H,1H3,(H,11,12)(H,8,10,13).
What are the key properties of 6-(methoxycarbonylamino)pyridazine-3-carboxylic acid?
6-(methoxycarbonylamino)pyridazine-3-carboxylic acid has a molecular weight of 197.15 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxycarbonylamino)pyridazine-3-carboxylic acid is sourced from PubChem (CID 118469876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).