5-chloro-4-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyridazin-6-one

C13H19ClN4O — CID 80746634

IUPAC5-chloro-4-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCCC(C3CCCN3)C2)c1Cl
InChIInChI=1S/C13H19ClN4O/c14-12-11(7-16-17-13(12)19)18-6-2-3-9(8-18)10-4-1-5-15-10/h7,9-10,15H,1-6,8H2,(H,17,19)
InChIKeyFOLSGIJANXALBX-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.39
Rot. Bonds2

About 5-chloro-4-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyridazin-6-one

5-chloro-4-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyridazin-6-one (PubChem CID 80746634) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 5-chloro-4-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyridazin-6-one
PubChem CID80746634
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name5-chloro-4-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCCC(C3CCCN3)C2)c1Cl
InChIInChI=1S/C13H19ClN4O/c14-12-11(7-16-17-13(12)19)18-6-2-3-9(8-18)10-4-1-5-15-10/h7,9-10,15H,1-6,8H2,(H,17,19)
InChIKeyFOLSGIJANXALBX-UHFFFAOYSA-N
XLogP1.39
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-5-methyl-1H-pyridazin-6-one
CID 158094764
5-chloro-4-(4-methylazepan-1-yl)-1H-pyridazin-6-one
CID 71935982
(4aS,8aS)-6-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-cyclopropyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 98891047
1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133326854
5-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-pyridazin-6-one
CID 134038856
5-methoxy-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
CID 114600863
(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94796058
1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 47066461
5-chloro-4-(4-phenylpiperidin-1-yl)-1H-pyridazin-6-one
CID 47151514
1-(1-cyclopentylimidazol-2-yl)-3-pyrrolidin-2-ylpiperidine
CID 106551969
[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] carbamate;methylcyclobutane
CID 156750105
3-(3-pyrrolidin-2-ylpiperidin-1-yl)pyridazine
CID 62484087

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyridazin-6-one (CID 80746634) is 5-chloro-4-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyridazin-6-one is O=c1[nH]ncc(N2CCCC(C3CCCN3)C2)c1Cl.
What is the InChIKey of 5-chloro-4-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyridazin-6-one?
The InChIKey is FOLSGIJANXALBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c14-12-11(7-16-17-13(12)19)18-6-2-3-9(8-18)10-4-1-5-15-10/h7,9-10,15H,1-6,8H2,(H,17,19).
What are the key properties of 5-chloro-4-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyridazin-6-one?
5-chloro-4-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyridazin-6-one has a molecular weight of 282.77 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 80746634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).