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

C17H21ClN4O — CID 121472632

IUPAC4-chloro-2-methyl-5-[(1-methyl-5-phenylpiperidin-3-yl)amino]pyridazin-3-one
SMILESCN1CC(Nc2cnn(C)c(=O)c2Cl)CC(c2ccccc2)C1
InChIInChI=1S/C17H21ClN4O/c1-21-10-13(12-6-4-3-5-7-12)8-14(11-21)20-15-9-19-22(2)17(23)16(15)18/h3-7,9,13-14,20H,8,10-11H2,1-2H3
InChIKeyZJYJXUJUQQPMJB-UHFFFAOYSA-N
MW332.84 g/mol
LogP2.33
Rot. Bonds3

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

4-chloro-2-methyl-5-[(1-methyl-5-phenylpiperidin-3-yl)amino]pyridazin-3-one (PubChem CID 121472632) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[(1-methyl-5-phenylpiperidin-3-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[(1-methyl-5-phenylpiperidin-3-yl)amino]pyridazin-3-one
PubChem CID121472632
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name4-chloro-2-methyl-5-[(1-methyl-5-phenylpiperidin-3-yl)amino]pyridazin-3-one
SMILESCN1CC(Nc2cnn(C)c(=O)c2Cl)CC(c2ccccc2)C1
InChIInChI=1S/C17H21ClN4O/c1-21-10-13(12-6-4-3-5-7-12)8-14(11-21)20-15-9-19-22(2)17(23)16(15)18/h3-7,9,13-14,20H,8,10-11H2,1-2H3
InChIKeyZJYJXUJUQQPMJB-UHFFFAOYSA-N
XLogP2.33
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 52.33
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-methyl-5-phenylpiperidin-3-yl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[(1-methyl-5-phenylpiperidin-3-yl)amino]pyridazin-3-one (CID 121472632) is 4-chloro-2-methyl-5-[(1-methyl-5-phenylpiperidin-3-yl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[(1-methyl-5-phenylpiperidin-3-yl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[(1-methyl-5-phenylpiperidin-3-yl)amino]pyridazin-3-one is CN1CC(Nc2cnn(C)c(=O)c2Cl)CC(c2ccccc2)C1.
What is the InChIKey of 4-chloro-2-methyl-5-[(1-methyl-5-phenylpiperidin-3-yl)amino]pyridazin-3-one?
The InChIKey is ZJYJXUJUQQPMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-21-10-13(12-6-4-3-5-7-12)8-14(11-21)20-15-9-19-22(2)17(23)16(15)18/h3-7,9,13-14,20H,8,10-11H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-5-[(1-methyl-5-phenylpiperidin-3-yl)amino]pyridazin-3-one?
4-chloro-2-methyl-5-[(1-methyl-5-phenylpiperidin-3-yl)amino]pyridazin-3-one has a molecular weight of 332.84 g/mol, XLogP of 2.33, 3 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-methyl-5-phenylpiperidin-3-yl)amino]pyridazin-3-one is sourced from PubChem (CID 121472632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).