4-chloro-2-methyl-5-[[1-(oxetan-3-yl)piperidin-3-yl]amino]pyridazin-3-one

C13H19ClN4O2 — CID 121472662

IUPAC4-chloro-2-methyl-5-[[1-(oxetan-3-yl)piperidin-3-yl]amino]pyridazin-3-one
SMILESCn1ncc(NC2CCCN(C3COC3)C2)c(Cl)c1=O
InChIInChI=1S/C13H19ClN4O2/c1-17-13(19)12(14)11(5-15-17)16-9-3-2-4-18(6-9)10-7-20-8-10/h5,9-10,16H,2-4,6-8H2,1H3
InChIKeyCFRDBPXDMMANCI-UHFFFAOYSA-N
MW298.77 g/mol
LogP0.71
Rot. Bonds3

About 4-chloro-2-methyl-5-[[1-(oxetan-3-yl)piperidin-3-yl]amino]pyridazin-3-one

4-chloro-2-methyl-5-[[1-(oxetan-3-yl)piperidin-3-yl]amino]pyridazin-3-one (PubChem CID 121472662) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[[1-(oxetan-3-yl)piperidin-3-yl]amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[[1-(oxetan-3-yl)piperidin-3-yl]amino]pyridazin-3-one
PubChem CID121472662
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name4-chloro-2-methyl-5-[[1-(oxetan-3-yl)piperidin-3-yl]amino]pyridazin-3-one
SMILESCn1ncc(NC2CCCN(C3COC3)C2)c(Cl)c1=O
InChIInChI=1S/C13H19ClN4O2/c1-17-13(19)12(14)11(5-15-17)16-9-3-2-4-18(6-9)10-7-20-8-10/h5,9-10,16H,2-4,6-8H2,1H3
InChIKeyCFRDBPXDMMANCI-UHFFFAOYSA-N
XLogP0.71
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[[1-(oxetan-3-yl)piperidin-3-yl]amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[[1-(oxetan-3-yl)piperidin-3-yl]amino]pyridazin-3-one (CID 121472662) is 4-chloro-2-methyl-5-[[1-(oxetan-3-yl)piperidin-3-yl]amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[[1-(oxetan-3-yl)piperidin-3-yl]amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[[1-(oxetan-3-yl)piperidin-3-yl]amino]pyridazin-3-one is Cn1ncc(NC2CCCN(C3COC3)C2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-methyl-5-[[1-(oxetan-3-yl)piperidin-3-yl]amino]pyridazin-3-one?
The InChIKey is CFRDBPXDMMANCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-17-13(19)12(14)11(5-15-17)16-9-3-2-4-18(6-9)10-7-20-8-10/h5,9-10,16H,2-4,6-8H2,1H3.
What are the key properties of 4-chloro-2-methyl-5-[[1-(oxetan-3-yl)piperidin-3-yl]amino]pyridazin-3-one?
4-chloro-2-methyl-5-[[1-(oxetan-3-yl)piperidin-3-yl]amino]pyridazin-3-one has a molecular weight of 298.77 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[[1-(oxetan-3-yl)piperidin-3-yl]amino]pyridazin-3-one is sourced from PubChem (CID 121472662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).