5-chloro-3-piperidin-4-yl-1H-pyridazin-6-one

C9H12ClN3O — CID 117105190

IUPAC5-chloro-3-piperidin-4-yl-1H-pyridazin-6-one
SMILESO=c1[nH]nc(C2CCNCC2)cc1Cl
InChIInChI=1S/C9H12ClN3O/c10-7-5-8(12-13-9(7)14)6-1-3-11-4-2-6/h5-6,11H,1-4H2,(H,13,14)
InChIKeyDMDWOABAWBDNRO-UHFFFAOYSA-N
MW213.67 g/mol
LogP0.89
Rot. Bonds1

About 5-chloro-3-piperidin-4-yl-1H-pyridazin-6-one

5-chloro-3-piperidin-4-yl-1H-pyridazin-6-one (PubChem CID 117105190) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 5-chloro-3-piperidin-4-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-3-piperidin-4-yl-1H-pyridazin-6-one
PubChem CID117105190
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name5-chloro-3-piperidin-4-yl-1H-pyridazin-6-one
SMILESO=c1[nH]nc(C2CCNCC2)cc1Cl
InChIInChI=1S/C9H12ClN3O/c10-7-5-8(12-13-9(7)14)6-1-3-11-4-2-6/h5-6,11H,1-4H2,(H,13,14)
InChIKeyDMDWOABAWBDNRO-UHFFFAOYSA-N
XLogP0.89
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-piperidin-4-yl-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-3-piperidin-4-yl-1H-pyridazin-6-one (CID 117105190) is 5-chloro-3-piperidin-4-yl-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-3-piperidin-4-yl-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-3-piperidin-4-yl-1H-pyridazin-6-one is O=c1[nH]nc(C2CCNCC2)cc1Cl.
What is the InChIKey of 5-chloro-3-piperidin-4-yl-1H-pyridazin-6-one?
The InChIKey is DMDWOABAWBDNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c10-7-5-8(12-13-9(7)14)6-1-3-11-4-2-6/h5-6,11H,1-4H2,(H,13,14).
What are the key properties of 5-chloro-3-piperidin-4-yl-1H-pyridazin-6-one?
5-chloro-3-piperidin-4-yl-1H-pyridazin-6-one has a molecular weight of 213.67 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-piperidin-4-yl-1H-pyridazin-6-one is sourced from PubChem (CID 117105190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).