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

C11H17ClN4O — CID 113222223

IUPAC4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one
SMILESCN1CCC(Nc2cnn(C)c(=O)c2Cl)CC1
InChIInChI=1S/C11H17ClN4O/c1-15-5-3-8(4-6-15)14-9-7-13-16(2)11(17)10(9)12/h7-8,14H,3-6H2,1-2H3
InChIKeyLOVWRUBZPXDPEX-UHFFFAOYSA-N
MW256.74 g/mol
LogP0.94
Rot. Bonds2

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

4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one (PubChem CID 113222223) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one
PubChem CID113222223
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one
SMILESCN1CCC(Nc2cnn(C)c(=O)c2Cl)CC1
InChIInChI=1S/C11H17ClN4O/c1-15-5-3-8(4-6-15)14-9-7-13-16(2)11(17)10(9)12/h7-8,14H,3-6H2,1-2H3
InChIKeyLOVWRUBZPXDPEX-UHFFFAOYSA-N
XLogP0.94
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one (CID 113222223) is 4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one is CN1CCC(Nc2cnn(C)c(=O)c2Cl)CC1.
What is the InChIKey of 4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one?
The InChIKey is LOVWRUBZPXDPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-15-5-3-8(4-6-15)14-9-7-13-16(2)11(17)10(9)12/h7-8,14H,3-6H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one?
4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one has a molecular weight of 256.74 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one is sourced from PubChem (CID 113222223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).