1-(5-chloro-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid

C11H14ClN3O3 — CID 102549177

IUPAC1-(5-chloro-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCCn1ncc(N2CCC(C(=O)O)C2)c(Cl)c1=O
InChIInChI=1S/C11H14ClN3O3/c1-2-15-10(16)9(12)8(5-13-15)14-4-3-7(6-14)11(17)18/h5,7H,2-4,6H2,1H3,(H,17,18)
InChIKeyWWZIFGGNYPJGKB-UHFFFAOYSA-N
MW271.70 g/mol
LogP0.83
Rot. Bonds3

About 1-(5-chloro-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid

1-(5-chloro-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 102549177) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 1-(5-chloro-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID102549177
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name1-(5-chloro-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCCn1ncc(N2CCC(C(=O)O)C2)c(Cl)c1=O
InChIInChI=1S/C11H14ClN3O3/c1-2-15-10(16)9(12)8(5-13-15)14-4-3-7(6-14)11(17)18/h5,7H,2-4,6H2,1H3,(H,17,18)
InChIKeyWWZIFGGNYPJGKB-UHFFFAOYSA-N
XLogP0.83
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-amino-3-ethylpiperidin-1-yl)-4-chloro-2-ethylpyridazin-3-one
CID 114446594
5-(4-amino-3-ethylpiperidin-1-yl)-2-butyl-4-chloropyridazin-3-one
CID 114446592
1-[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]pyrrolidine-3-carboxylic acid
CID 122048613
5-(3-amino-4-methylpiperidin-1-yl)-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114445359
4-chloro-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-ethylpyridazin-3-one
CID 19245616
4-chloro-5-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one
CID 129352579
5-[3-(aminomethyl)piperidin-1-yl]-4-chloro-2-propylpyridazin-3-one
CID 114444360
1-(1-benzyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid
CID 122048542
2-butyl-4-chloro-5-(3-methylpiperazin-1-yl)pyridazin-3-one
CID 114445759
4-chloro-5-[4-(ethylamino)piperidin-1-yl]-2-propylpyridazin-3-one
CID 114443611
ethyl 1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperidine-4-carboxylate
CID 9280161
4-chloro-2-(2-hydroxyethyl)-5-[4-[1-(methylamino)ethyl]piperidin-1-yl]pyridazin-3-one
CID 114443685

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(5-chloro-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid (CID 102549177) is 1-(5-chloro-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(5-chloro-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid is CCn1ncc(N2CCC(C(=O)O)C2)c(Cl)c1=O.
What is the InChIKey of 1-(5-chloro-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is WWZIFGGNYPJGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-2-15-10(16)9(12)8(5-13-15)14-4-3-7(6-14)11(17)18/h5,7H,2-4,6H2,1H3,(H,17,18).
What are the key properties of 1-(5-chloro-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid?
1-(5-chloro-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 271.70 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-ethyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 102549177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).