5-chloro-3-(pyrrolidin-3-ylmethyl)-1H-pyridazin-6-one

C9H12ClN3O — CID 117105327

IUPAC5-chloro-3-(pyrrolidin-3-ylmethyl)-1H-pyridazin-6-one
SMILESO=c1[nH]nc(CC2CCNC2)cc1Cl
InChIInChI=1S/C9H12ClN3O/c10-8-4-7(12-13-9(8)14)3-6-1-2-11-5-6/h4,6,11H,1-3,5H2,(H,13,14)
InChIKeyNFOYCHWEKOAZDV-UHFFFAOYSA-N
MW213.67 g/mol
LogP0.58
Rot. Bonds2

About 5-chloro-3-(pyrrolidin-3-ylmethyl)-1H-pyridazin-6-one

5-chloro-3-(pyrrolidin-3-ylmethyl)-1H-pyridazin-6-one (PubChem CID 117105327) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 5-chloro-3-(pyrrolidin-3-ylmethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-3-(pyrrolidin-3-ylmethyl)-1H-pyridazin-6-one
PubChem CID117105327
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name5-chloro-3-(pyrrolidin-3-ylmethyl)-1H-pyridazin-6-one
SMILESO=c1[nH]nc(CC2CCNC2)cc1Cl
InChIInChI=1S/C9H12ClN3O/c10-8-4-7(12-13-9(8)14)3-6-1-2-11-5-6/h4,6,11H,1-3,5H2,(H,13,14)
InChIKeyNFOYCHWEKOAZDV-UHFFFAOYSA-N
XLogP0.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-(pyrrolidin-3-ylmethyl)-1H-pyridazin-6-one
CID 117105335
5-chloro-3-[(1,1-dioxothian-2-yl)methyl]-1H-pyridazin-6-one
CID 117106110
3-[(3,4-dichlorophenyl)methyl]pyrrolidine
CID 82158944
3-chloro-6-(pyrrolidin-3-ylmethyl)pyridazine
CID 117105313
7-chloro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054647
1,5-dimethyl-3-(pyrrolidin-3-ylmethyl)pyrazole
CID 83482272
1-methyl-3-(pyrrolidin-3-ylmethyl)pyrazole-5-carboxylic acid
CID 115092355
4-chloro-6-(piperidin-4-ylmethyl)pyridazin-3-amine
CID 117105463
4-methyl-6-(pyrrolidin-3-ylmethyl)pyrimidin-2-amine
CID 83858474
3-[(4-bromo-3-chlorophenyl)methyl]pyrrolidine
CID 84713943
3-bromo-5-(pyrrolidin-3-ylmethyl)-1H-1,2,4-triazole
CID 84694246
2-methyl-5-[[(3S)-pyrrolidin-3-yl]methyl]pyrazine
CID 157065422

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(pyrrolidin-3-ylmethyl)-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-3-(pyrrolidin-3-ylmethyl)-1H-pyridazin-6-one (CID 117105327) is 5-chloro-3-(pyrrolidin-3-ylmethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-3-(pyrrolidin-3-ylmethyl)-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-3-(pyrrolidin-3-ylmethyl)-1H-pyridazin-6-one is O=c1[nH]nc(CC2CCNC2)cc1Cl.
What is the InChIKey of 5-chloro-3-(pyrrolidin-3-ylmethyl)-1H-pyridazin-6-one?
The InChIKey is NFOYCHWEKOAZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c10-8-4-7(12-13-9(8)14)3-6-1-2-11-5-6/h4,6,11H,1-3,5H2,(H,13,14).
What are the key properties of 5-chloro-3-(pyrrolidin-3-ylmethyl)-1H-pyridazin-6-one?
5-chloro-3-(pyrrolidin-3-ylmethyl)-1H-pyridazin-6-one has a molecular weight of 213.67 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(pyrrolidin-3-ylmethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 117105327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).