1-methyl-4-oxopyrido[2,3-c]pyridazine-3-carboxylic acid

C9H7N3O3 — CID 118500444

IUPAC1-methyl-4-oxopyrido[2,3-c]pyridazine-3-carboxylic acid
SMILESCn1nc(C(=O)O)c(=O)c2cccnc21
InChIInChI=1S/C9H7N3O3/c1-12-8-5(3-2-4-10-8)7(13)6(11-12)9(14)15/h2-4H,1H3,(H,14,15)
InChIKeyWMARRMNTMNTPEY-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.03
Rot. Bonds1

About 1-methyl-4-oxopyrido[2,3-c]pyridazine-3-carboxylic acid

1-methyl-4-oxopyrido[2,3-c]pyridazine-3-carboxylic acid (PubChem CID 118500444) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 1-methyl-4-oxopyrido[2,3-c]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-oxopyrido[2,3-c]pyridazine-3-carboxylic acid
PubChem CID118500444
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name1-methyl-4-oxopyrido[2,3-c]pyridazine-3-carboxylic acid
SMILESCn1nc(C(=O)O)c(=O)c2cccnc21
InChIInChI=1S/C9H7N3O3/c1-12-8-5(3-2-4-10-8)7(13)6(11-12)9(14)15/h2-4H,1H3,(H,14,15)
InChIKeyWMARRMNTMNTPEY-UHFFFAOYSA-N
XLogP0.03
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-oxopyrido[2,3-c]pyridazine-3-carboxylic acid?
The IUPAC name of 1-methyl-4-oxopyrido[2,3-c]pyridazine-3-carboxylic acid (CID 118500444) is 1-methyl-4-oxopyrido[2,3-c]pyridazine-3-carboxylic acid.
What is the SMILES notation for 1-methyl-4-oxopyrido[2,3-c]pyridazine-3-carboxylic acid?
The canonical SMILES for 1-methyl-4-oxopyrido[2,3-c]pyridazine-3-carboxylic acid is Cn1nc(C(=O)O)c(=O)c2cccnc21.
What is the InChIKey of 1-methyl-4-oxopyrido[2,3-c]pyridazine-3-carboxylic acid?
The InChIKey is WMARRMNTMNTPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c1-12-8-5(3-2-4-10-8)7(13)6(11-12)9(14)15/h2-4H,1H3,(H,14,15).
What are the key properties of 1-methyl-4-oxopyrido[2,3-c]pyridazine-3-carboxylic acid?
1-methyl-4-oxopyrido[2,3-c]pyridazine-3-carboxylic acid has a molecular weight of 205.17 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-oxopyrido[2,3-c]pyridazine-3-carboxylic acid is sourced from PubChem (CID 118500444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).