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

C9H7N3O3 — CID 171631011

IUPAC2-methyl-1-oxopyrido[3,4-d]pyridazine-4-carboxylic acid
SMILESCn1nc(C(=O)O)c2cnccc2c1=O
InChIInChI=1S/C9H7N3O3/c1-12-8(13)5-2-3-10-4-6(5)7(11-12)9(14)15/h2-4H,1H3,(H,14,15)
InChIKeyJOZWEMUGZVTEAH-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.03
Rot. Bonds1

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

2-methyl-1-oxopyrido[3,4-d]pyridazine-4-carboxylic acid (PubChem CID 171631011) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 2-methyl-1-oxopyrido[3,4-d]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-oxopyrido[3,4-d]pyridazine-4-carboxylic acid
PubChem CID171631011
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name2-methyl-1-oxopyrido[3,4-d]pyridazine-4-carboxylic acid
SMILESCn1nc(C(=O)O)c2cnccc2c1=O
InChIInChI=1S/C9H7N3O3/c1-12-8(13)5-2-3-10-4-6(5)7(11-12)9(14)15/h2-4H,1H3,(H,14,15)
InChIKeyJOZWEMUGZVTEAH-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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Related Compounds

2-ethyl-1-oxopyrido[3,4-d]pyridazine-4-carboxylic acid;hydrochloride
CID 171630588
2-methyl-4-(4-phenyl-3,5-dihydro-2H-pyrazin-1-ium-1-carbonyl)pyrido[3,4-d]pyridazin-1-one
CID 171630725
1-methylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid
CID 84656301
2-methyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)phthalazin-1-one
CID 9254342
6-chloro-2-methyl-4-[4-(4-propyl-3-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one;ethane
CID 171630546
1,3-dimethylpyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride
CID 69398558
2-methyl-4-pyridin-3-ylphthalazin-1-one
CID 10060065
1-methyl-4-oxopyrido[2,3-c]pyridazine-3-carboxylic acid
CID 118500444
2-methyl-4-propan-2-yl-2,6-naphthyridin-1-one
CID 147727111
5-bromo-1-methylindazole-3-carboxylic acid
CID 67230358
3-(2-ethoxyethyl)-4-oxophthalazine-1-carboxylic acid
CID 43398130
3-methylpyrido[4,3-d]pyrimidin-4-one
CID 59514464

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-oxopyrido[3,4-d]pyridazine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-oxopyrido[3,4-d]pyridazine-4-carboxylic acid (CID 171631011) is 2-methyl-1-oxopyrido[3,4-d]pyridazine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-oxopyrido[3,4-d]pyridazine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-oxopyrido[3,4-d]pyridazine-4-carboxylic acid is Cn1nc(C(=O)O)c2cnccc2c1=O.
What is the InChIKey of 2-methyl-1-oxopyrido[3,4-d]pyridazine-4-carboxylic acid?
The InChIKey is JOZWEMUGZVTEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c1-12-8(13)5-2-3-10-4-6(5)7(11-12)9(14)15/h2-4H,1H3,(H,14,15).
What are the key properties of 2-methyl-1-oxopyrido[3,4-d]pyridazine-4-carboxylic acid?
2-methyl-1-oxopyrido[3,4-d]pyridazine-4-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 2-methyl-1-oxopyrido[3,4-d]pyridazine-4-carboxylic acid is sourced from PubChem (CID 171631011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).