1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid

C10H11N3O4 — CID 43355515

IUPAC1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H11N3O4/c14-8-4-3-6(11-12-8)9(15)13-5-1-2-7(13)10(16)17/h3-4,7H,1-2,5H2,(H,12,14)(H,16,17)
InChIKeyXWTBFJXPUNOTLO-UHFFFAOYSA-N
MW237.21 g/mol
LogP-0.54
Rot. Bonds2

About 1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid

1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 43355515) has the molecular formula C10H11N3O4 and a molecular weight of 237.21 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID43355515
Molecular FormulaC10H11N3O4
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H11N3O4/c14-8-4-3-6(11-12-8)9(15)13-5-1-2-7(13)10(16)17/h3-4,7H,1-2,5H2,(H,12,14)(H,16,17)
InChIKeyXWTBFJXPUNOTLO-UHFFFAOYSA-N
XLogP-0.54
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one
CID 110671096
3-[2-(4-cyclopentylpiperazine-1-carbonyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 136528364
3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359284
3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carbonyl)-1H-pyridazin-6-one
CID 114040889
(2R)-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371130
N-[2-(cycloheptylamino)ethyl]-1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-2-carboxamide
CID 119620890
3-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 110661811
3-[2-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 120748902
N-(2,4-dichlorophenyl)-1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-2-carboxamide
CID 87017517
(2R)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 28789702
1-(6-oxo-1H-pyridine-3-carbonyl)azepane-2-carboxylic acid
CID 64560700
1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 103116373

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 43355515) is 1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of 1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is XWTBFJXPUNOTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c14-8-4-3-6(11-12-8)9(15)13-5-1-2-7(13)10(16)17/h3-4,7H,1-2,5H2,(H,12,14)(H,16,17).
What are the key properties of 1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid?
1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 237.21 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43355515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).