3-pyrrolidin-2-yl-1H-pyridazin-6-one;hydrochloride

C8H12ClN3O — CID 126797000

IUPAC3-pyrrolidin-2-yl-1H-pyridazin-6-one;hydrochloride
SMILESCl.O=c1ccc(C2CCCN2)n[nH]1
InChIInChI=1S/C8H11N3O.ClH/c12-8-4-3-7(10-11-8)6-2-1-5-9-6;/h3-4,6,9H,1-2,5H2,(H,11,12);1H
InChIKeyUESFKGSNGRSBEU-UHFFFAOYSA-N
MW201.66 g/mol
LogP0.62
Rot. Bonds1

About 3-pyrrolidin-2-yl-1H-pyridazin-6-one;hydrochloride

3-pyrrolidin-2-yl-1H-pyridazin-6-one;hydrochloride (PubChem CID 126797000) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 3-pyrrolidin-2-yl-1H-pyridazin-6-one;hydrochloride.

Molecular Properties

Compound Name3-pyrrolidin-2-yl-1H-pyridazin-6-one;hydrochloride
PubChem CID126797000
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name3-pyrrolidin-2-yl-1H-pyridazin-6-one;hydrochloride
SMILESCl.O=c1ccc(C2CCCN2)n[nH]1
InChIInChI=1S/C8H11N3O.ClH/c12-8-4-3-7(10-11-8)6-2-1-5-9-6;/h3-4,6,9H,1-2,5H2,(H,11,12);1H
InChIKeyUESFKGSNGRSBEU-UHFFFAOYSA-N
XLogP0.62
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-pyrrolidin-2-ylpyridine;hydrochloride
CID 118998863
2-[(2R)-pyrrolidin-2-yl]pyridine
CID 7141590
5-bromo-2-pyrrolidin-2-ylpyridine
CID 67294409
6-[(2S)-pyrrolidin-2-yl]pyridin-3-ol
CID 55275999
5-fluoro-2-[(2S)-pyrrolidin-2-yl]pyridine
CID 55277524
(3-pyrrolidin-2-yl-1H-pyrazol-5-yl)methanol
CID 66509779
2,3-dimethyl-6-piperidin-2-ylpyridine
CID 84662827
3-methoxy-6-pyrrolidin-2-ylpyridazine
CID 117105794
5-nitro-2-[(2S)-pyrrolidin-2-yl]pyridine
CID 55274091
5-bromo-2-[(2S)-piperidin-2-yl]pyridine;hydrochloride
CID 171194911
4-[(2R)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 171195835
6-[(2R)-pyrrolidin-2-yl]pyridine-2-carbaldehyde
CID 87404647

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-2-yl-1H-pyridazin-6-one;hydrochloride?
The IUPAC name of 3-pyrrolidin-2-yl-1H-pyridazin-6-one;hydrochloride (CID 126797000) is 3-pyrrolidin-2-yl-1H-pyridazin-6-one;hydrochloride.
What is the SMILES notation for 3-pyrrolidin-2-yl-1H-pyridazin-6-one;hydrochloride?
The canonical SMILES for 3-pyrrolidin-2-yl-1H-pyridazin-6-one;hydrochloride is Cl.O=c1ccc(C2CCCN2)n[nH]1.
What is the InChIKey of 3-pyrrolidin-2-yl-1H-pyridazin-6-one;hydrochloride?
The InChIKey is UESFKGSNGRSBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O.ClH/c12-8-4-3-7(10-11-8)6-2-1-5-9-6;/h3-4,6,9H,1-2,5H2,(H,11,12);1H.
What are the key properties of 3-pyrrolidin-2-yl-1H-pyridazin-6-one;hydrochloride?
3-pyrrolidin-2-yl-1H-pyridazin-6-one;hydrochloride has a molecular weight of 201.66 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-2-yl-1H-pyridazin-6-one;hydrochloride is sourced from PubChem (CID 126797000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).