1,2-dihydropyrido[2,3-d]pyridazine-3-carboxylic acid

C8H7N3O2 — CID 143949855

IUPAC1,2-dihydropyrido[2,3-d]pyridazine-3-carboxylic acid
SMILESO=C(O)C1=Cc2cnncc2NC1
InChIInChI=1S/C8H7N3O2/c12-8(13)6-1-5-3-10-11-4-7(5)9-2-6/h1,3-4,9H,2H2,(H,12,13)
InChIKeyMOLIBHCAJYGCKP-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.37
Rot. Bonds1

About 1,2-dihydropyrido[2,3-d]pyridazine-3-carboxylic acid

1,2-dihydropyrido[2,3-d]pyridazine-3-carboxylic acid (PubChem CID 143949855) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 1,2-dihydropyrido[2,3-d]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1,2-dihydropyrido[2,3-d]pyridazine-3-carboxylic acid
PubChem CID143949855
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name1,2-dihydropyrido[2,3-d]pyridazine-3-carboxylic acid
SMILESO=C(O)C1=Cc2cnncc2NC1
InChIInChI=1S/C8H7N3O2/c12-8(13)6-1-5-3-10-11-4-7(5)9-2-6/h1,3-4,9H,2H2,(H,12,13)
InChIKeyMOLIBHCAJYGCKP-UHFFFAOYSA-N
XLogP0.37
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyrido[2,3-d]pyridazine-3-carboxylic acid?
The IUPAC name of 1,2-dihydropyrido[2,3-d]pyridazine-3-carboxylic acid (CID 143949855) is 1,2-dihydropyrido[2,3-d]pyridazine-3-carboxylic acid.
What is the SMILES notation for 1,2-dihydropyrido[2,3-d]pyridazine-3-carboxylic acid?
The canonical SMILES for 1,2-dihydropyrido[2,3-d]pyridazine-3-carboxylic acid is O=C(O)C1=Cc2cnncc2NC1.
What is the InChIKey of 1,2-dihydropyrido[2,3-d]pyridazine-3-carboxylic acid?
The InChIKey is MOLIBHCAJYGCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c12-8(13)6-1-5-3-10-11-4-7(5)9-2-6/h1,3-4,9H,2H2,(H,12,13).
What are the key properties of 1,2-dihydropyrido[2,3-d]pyridazine-3-carboxylic acid?
1,2-dihydropyrido[2,3-d]pyridazine-3-carboxylic acid has a molecular weight of 177.16 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyrido[2,3-d]pyridazine-3-carboxylic acid is sourced from PubChem (CID 143949855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).