2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine-2-carboxylic acid

C7H7N3O2 — CID 112711991

IUPAC2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine-2-carboxylic acid
SMILESO=C(O)C1Cc2cnncc2N1
InChIInChI=1S/C7H7N3O2/c11-7(12)5-1-4-2-8-9-3-6(4)10-5/h2-3,5,10H,1H2,(H,11,12)
InChIKeyLKWLPIQGCZPZBX-UHFFFAOYSA-N
MW165.15 g/mol
LogP-0.10
Rot. Bonds1

About 2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine-2-carboxylic acid

2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine-2-carboxylic acid (PubChem CID 112711991) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine-2-carboxylic acid.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine-2-carboxylic acid
PubChem CID112711991
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine-2-carboxylic acid
SMILESO=C(O)C1Cc2cnncc2N1
InChIInChI=1S/C7H7N3O2/c11-7(12)5-1-4-2-8-9-3-6(4)10-5/h2-3,5,10H,1H2,(H,11,12)
InChIKeyLKWLPIQGCZPZBX-UHFFFAOYSA-N
XLogP-0.10
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
CID 175311120
2,3-dihydro-1H-indole-2-carboxylic acid;methanol
CID 174391428
(2S)-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid
CID 124583906
(2S)-6-methylsulfanyl-2,3-dihydro-1H-indole-2-carboxylic acid
CID 130616337
6-bromo-5-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
CID 83901198
6-cyano-2,3-dihydro-1H-indole-2-carboxylic acid
CID 130001280
7-hydroxy-2,3-dihydro-1H-indole-2-carboxylic acid
CID 115015319
methane;(2S)-4-oxoazetidine-2-carboxylic acid
CID 143306499
4-oxoazetidine-2-carboxylic acid;hydrochloride
CID 162462480
(2S)-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
CID 124706559
(2R)-4-amino-2,3-dihydro-1H-indole-2-carboxylic acid
CID 130664684
5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid
CID 174490296

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine-2-carboxylic acid?
The IUPAC name of 2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine-2-carboxylic acid (CID 112711991) is 2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine-2-carboxylic acid.
What is the SMILES notation for 2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine-2-carboxylic acid?
The canonical SMILES for 2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine-2-carboxylic acid is O=C(O)C1Cc2cnncc2N1.
What is the InChIKey of 2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine-2-carboxylic acid?
The InChIKey is LKWLPIQGCZPZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c11-7(12)5-1-4-2-8-9-3-6(4)10-5/h2-3,5,10H,1H2,(H,11,12).
What are the key properties of 2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine-2-carboxylic acid?
2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine-2-carboxylic acid has a molecular weight of 165.15 g/mol, XLogP of -0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine-2-carboxylic acid is sourced from PubChem (CID 112711991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).