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

C15H18ClN5O — CID 121476456

IUPAC4-chloro-2-methyl-5-[(1-pyridin-2-ylpiperidin-3-yl)amino]pyridazin-3-one
SMILESCn1ncc(NC2CCCN(c3ccccn3)C2)c(Cl)c1=O
InChIInChI=1S/C15H18ClN5O/c1-20-15(22)14(16)12(9-18-20)19-11-5-4-8-21(10-11)13-6-2-3-7-17-13/h2-3,6-7,9,11,19H,4-5,8,10H2,1H3
InChIKeyXZMIUZUJAHVGHS-UHFFFAOYSA-N
MW319.80 g/mol
LogP1.91
Rot. Bonds3

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

4-chloro-2-methyl-5-[(1-pyridin-2-ylpiperidin-3-yl)amino]pyridazin-3-one (PubChem CID 121476456) has the molecular formula C15H18ClN5O and a molecular weight of 319.80 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[(1-pyridin-2-ylpiperidin-3-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[(1-pyridin-2-ylpiperidin-3-yl)amino]pyridazin-3-one
PubChem CID121476456
Molecular FormulaC15H18ClN5O
Molecular Weight319.80 g/mol
Exact Mass319.12
IUPAC Name4-chloro-2-methyl-5-[(1-pyridin-2-ylpiperidin-3-yl)amino]pyridazin-3-one
SMILESCn1ncc(NC2CCCN(c3ccccn3)C2)c(Cl)c1=O
InChIInChI=1S/C15H18ClN5O/c1-20-15(22)14(16)12(9-18-20)19-11-5-4-8-21(10-11)13-6-2-3-7-17-13/h2-3,6-7,9,11,19H,4-5,8,10H2,1H3
InChIKeyXZMIUZUJAHVGHS-UHFFFAOYSA-N
XLogP1.91
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 51.91
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-pyridin-2-ylpiperidin-3-yl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[(1-pyridin-2-ylpiperidin-3-yl)amino]pyridazin-3-one (CID 121476456) is 4-chloro-2-methyl-5-[(1-pyridin-2-ylpiperidin-3-yl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[(1-pyridin-2-ylpiperidin-3-yl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[(1-pyridin-2-ylpiperidin-3-yl)amino]pyridazin-3-one is Cn1ncc(NC2CCCN(c3ccccn3)C2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-methyl-5-[(1-pyridin-2-ylpiperidin-3-yl)amino]pyridazin-3-one?
The InChIKey is XZMIUZUJAHVGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O/c1-20-15(22)14(16)12(9-18-20)19-11-5-4-8-21(10-11)13-6-2-3-7-17-13/h2-3,6-7,9,11,19H,4-5,8,10H2,1H3.
What are the key properties of 4-chloro-2-methyl-5-[(1-pyridin-2-ylpiperidin-3-yl)amino]pyridazin-3-one?
4-chloro-2-methyl-5-[(1-pyridin-2-ylpiperidin-3-yl)amino]pyridazin-3-one has a molecular weight of 319.80 g/mol, XLogP of 1.91, 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-pyridin-2-ylpiperidin-3-yl)amino]pyridazin-3-one is sourced from PubChem (CID 121476456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).