4-chloro-2-methyl-5-piperidin-1-ylpyridazin-3-one

C10H14ClN3O — CID 614850

IUPAC4-chloro-2-methyl-5-piperidin-1-ylpyridazin-3-one
SMILESCn1ncc(N2CCCCC2)c(Cl)c1=O
InChIInChI=1S/C10H14ClN3O/c1-13-10(15)9(11)8(7-12-13)14-5-3-2-4-6-14/h7H,2-6H2,1H3
InChIKeyHFDNAAGDKCGKRY-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.42
Rot. Bonds1

About 4-chloro-2-methyl-5-piperidin-1-ylpyridazin-3-one

4-chloro-2-methyl-5-piperidin-1-ylpyridazin-3-one (PubChem CID 614850) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-piperidin-1-ylpyridazin-3-one
PubChem CID614850
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name4-chloro-2-methyl-5-piperidin-1-ylpyridazin-3-one
SMILESCn1ncc(N2CCCCC2)c(Cl)c1=O
InChIInChI=1S/C10H14ClN3O/c1-13-10(15)9(11)8(7-12-13)14-5-3-2-4-6-14/h7H,2-6H2,1H3
InChIKeyHFDNAAGDKCGKRY-UHFFFAOYSA-N
XLogP1.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-piperidin-1-ylpyridazin-3-one (CID 614850) is 4-chloro-2-methyl-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-piperidin-1-ylpyridazin-3-one is Cn1ncc(N2CCCCC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-methyl-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is HFDNAAGDKCGKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-13-10(15)9(11)8(7-12-13)14-5-3-2-4-6-14/h7H,2-6H2,1H3.
What are the key properties of 4-chloro-2-methyl-5-piperidin-1-ylpyridazin-3-one?
4-chloro-2-methyl-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 227.69 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 614850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).