6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridazine-3-carboxylic acid

C10H13N3O4 — CID 18184843

IUPAC6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridazine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)O)nn1
InChIInChI=1S/C10H13N3O4/c1-10(2,3)17-9(16)11-7-5-4-6(8(14)15)12-13-7/h4-5H,1-3H3,(H,14,15)(H,11,13,16)
InChIKeyOHXXYXPEHSXQOR-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.52
Rot. Bonds2

About 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridazine-3-carboxylic acid

6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridazine-3-carboxylic acid (PubChem CID 18184843) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridazine-3-carboxylic acid
PubChem CID18184843
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridazine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)O)nn1
InChIInChI=1S/C10H13N3O4/c1-10(2,3)17-9(16)11-7-5-4-6(8(14)15)12-13-7/h4-5H,1-3H3,(H,14,15)(H,11,13,16)
InChIKeyOHXXYXPEHSXQOR-UHFFFAOYSA-N
XLogP1.52
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridazine-3-carboxylic acid (CID 18184843) is 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridazine-3-carboxylic acid is CC(C)(C)OC(=O)Nc1ccc(C(=O)O)nn1.
What is the InChIKey of 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridazine-3-carboxylic acid?
The InChIKey is OHXXYXPEHSXQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-10(2,3)17-9(16)11-7-5-4-6(8(14)15)12-13-7/h4-5H,1-3H3,(H,14,15)(H,11,13,16).
What are the key properties of 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridazine-3-carboxylic acid?
6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridazine-3-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 18184843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).