5-chloro-3-pyrrolidin-3-yl-1H-pyridazin-6-one

C8H10ClN3O — CID 117105056

IUPAC5-chloro-3-pyrrolidin-3-yl-1H-pyridazin-6-one
SMILESO=c1[nH]nc(C2CCNC2)cc1Cl
InChIInChI=1S/C8H10ClN3O/c9-6-3-7(11-12-8(6)13)5-1-2-10-4-5/h3,5,10H,1-2,4H2,(H,12,13)
InChIKeyUHWDTADWKCRTPG-UHFFFAOYSA-N
MW199.64 g/mol
LogP0.50
Rot. Bonds1

About 5-chloro-3-pyrrolidin-3-yl-1H-pyridazin-6-one

5-chloro-3-pyrrolidin-3-yl-1H-pyridazin-6-one (PubChem CID 117105056) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 5-chloro-3-pyrrolidin-3-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-3-pyrrolidin-3-yl-1H-pyridazin-6-one
PubChem CID117105056
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name5-chloro-3-pyrrolidin-3-yl-1H-pyridazin-6-one
SMILESO=c1[nH]nc(C2CCNC2)cc1Cl
InChIInChI=1S/C8H10ClN3O/c9-6-3-7(11-12-8(6)13)5-1-2-10-4-5/h3,5,10H,1-2,4H2,(H,12,13)
InChIKeyUHWDTADWKCRTPG-UHFFFAOYSA-N
XLogP0.50
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-pyrrolidin-3-yl-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-3-pyrrolidin-3-yl-1H-pyridazin-6-one (CID 117105056) is 5-chloro-3-pyrrolidin-3-yl-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-3-pyrrolidin-3-yl-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-3-pyrrolidin-3-yl-1H-pyridazin-6-one is O=c1[nH]nc(C2CCNC2)cc1Cl.
What is the InChIKey of 5-chloro-3-pyrrolidin-3-yl-1H-pyridazin-6-one?
The InChIKey is UHWDTADWKCRTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O/c9-6-3-7(11-12-8(6)13)5-1-2-10-4-5/h3,5,10H,1-2,4H2,(H,12,13).
What are the key properties of 5-chloro-3-pyrrolidin-3-yl-1H-pyridazin-6-one?
5-chloro-3-pyrrolidin-3-yl-1H-pyridazin-6-one has a molecular weight of 199.64 g/mol, XLogP of 0.50, 1 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-yl-1H-pyridazin-6-one is sourced from PubChem (CID 117105056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).