4-chloro-5-(2-methylpiperidin-1-yl)-1H-pyridazin-6-one

C10H14ClN3O — CID 82213966

IUPAC4-chloro-5-(2-methylpiperidin-1-yl)-1H-pyridazin-6-one
SMILESCC1CCCCN1c1c(Cl)cn[nH]c1=O
InChIInChI=1S/C10H14ClN3O/c1-7-4-2-3-5-14(7)9-8(11)6-12-13-10(9)15/h6-7H,2-5H2,1H3,(H,13,15)
InChIKeyKRRGDGYGGGJNQE-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.80
Rot. Bonds1

About 4-chloro-5-(2-methylpiperidin-1-yl)-1H-pyridazin-6-one

4-chloro-5-(2-methylpiperidin-1-yl)-1H-pyridazin-6-one (PubChem CID 82213966) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-chloro-5-(2-methylpiperidin-1-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-chloro-5-(2-methylpiperidin-1-yl)-1H-pyridazin-6-one
PubChem CID82213966
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name4-chloro-5-(2-methylpiperidin-1-yl)-1H-pyridazin-6-one
SMILESCC1CCCCN1c1c(Cl)cn[nH]c1=O
InChIInChI=1S/C10H14ClN3O/c1-7-4-2-3-5-14(7)9-8(11)6-12-13-10(9)15/h6-7H,2-5H2,1H3,(H,13,15)
InChIKeyKRRGDGYGGGJNQE-UHFFFAOYSA-N
XLogP1.80
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-methylpiperidin-1-yl)-1H-pyridazin-6-one?
The IUPAC name of 4-chloro-5-(2-methylpiperidin-1-yl)-1H-pyridazin-6-one (CID 82213966) is 4-chloro-5-(2-methylpiperidin-1-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-chloro-5-(2-methylpiperidin-1-yl)-1H-pyridazin-6-one?
The canonical SMILES for 4-chloro-5-(2-methylpiperidin-1-yl)-1H-pyridazin-6-one is CC1CCCCN1c1c(Cl)cn[nH]c1=O.
What is the InChIKey of 4-chloro-5-(2-methylpiperidin-1-yl)-1H-pyridazin-6-one?
The InChIKey is KRRGDGYGGGJNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7-4-2-3-5-14(7)9-8(11)6-12-13-10(9)15/h6-7H,2-5H2,1H3,(H,13,15).
What are the key properties of 4-chloro-5-(2-methylpiperidin-1-yl)-1H-pyridazin-6-one?
4-chloro-5-(2-methylpiperidin-1-yl)-1H-pyridazin-6-one has a molecular weight of 227.69 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-methylpiperidin-1-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 82213966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).