3-piperazin-1-yl-1H-pyridazin-6-one;hydrochloride

C8H13ClN4O — CID 68509903

IUPAC3-piperazin-1-yl-1H-pyridazin-6-one;hydrochloride
SMILESCl.O=c1ccc(N2CCNCC2)n[nH]1
InChIInChI=1S/C8H12N4O.ClH/c13-8-2-1-7(10-11-8)12-5-3-9-4-6-12;/h1-2,9H,3-6H2,(H,11,13);1H
InChIKeyPXZIGVZPBUVJMU-UHFFFAOYSA-N
MW216.67 g/mol
LogP-0.40
Rot. Bonds1

About 3-piperazin-1-yl-1H-pyridazin-6-one;hydrochloride

3-piperazin-1-yl-1H-pyridazin-6-one;hydrochloride (PubChem CID 68509903) has the molecular formula C8H13ClN4O and a molecular weight of 216.67 g/mol. Its IUPAC name is 3-piperazin-1-yl-1H-pyridazin-6-one;hydrochloride.

Molecular Properties

Compound Name3-piperazin-1-yl-1H-pyridazin-6-one;hydrochloride
PubChem CID68509903
Molecular FormulaC8H13ClN4O
Molecular Weight216.67 g/mol
Exact Mass216.08
IUPAC Name3-piperazin-1-yl-1H-pyridazin-6-one;hydrochloride
SMILESCl.O=c1ccc(N2CCNCC2)n[nH]1
InChIInChI=1S/C8H12N4O.ClH/c13-8-2-1-7(10-11-8)12-5-3-9-4-6-12;/h1-2,9H,3-6H2,(H,11,13);1H
InChIKeyPXZIGVZPBUVJMU-UHFFFAOYSA-N
XLogP-0.40
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-1H-pyridazin-6-one;hydrochloride?
The IUPAC name of 3-piperazin-1-yl-1H-pyridazin-6-one;hydrochloride (CID 68509903) is 3-piperazin-1-yl-1H-pyridazin-6-one;hydrochloride.
What is the SMILES notation for 3-piperazin-1-yl-1H-pyridazin-6-one;hydrochloride?
The canonical SMILES for 3-piperazin-1-yl-1H-pyridazin-6-one;hydrochloride is Cl.O=c1ccc(N2CCNCC2)n[nH]1.
What is the InChIKey of 3-piperazin-1-yl-1H-pyridazin-6-one;hydrochloride?
The InChIKey is PXZIGVZPBUVJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O.ClH/c13-8-2-1-7(10-11-8)12-5-3-9-4-6-12;/h1-2,9H,3-6H2,(H,11,13);1H.
What are the key properties of 3-piperazin-1-yl-1H-pyridazin-6-one;hydrochloride?
3-piperazin-1-yl-1H-pyridazin-6-one;hydrochloride has a molecular weight of 216.67 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-1H-pyridazin-6-one;hydrochloride is sourced from PubChem (CID 68509903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).