4-chloro-2-methyl-5-piperazin-1-ylpyridazin-3-one;hydrochloride

C9H14Cl2N4O — CID 17297424

IUPAC4-chloro-2-methyl-5-piperazin-1-ylpyridazin-3-one;hydrochloride
SMILESCl.Cn1ncc(N2CCNCC2)c(Cl)c1=O
InChIInChI=1S/C9H13ClN4O.ClH/c1-13-9(15)8(10)7(6-12-13)14-4-2-11-3-5-14;/h6,11H,2-5H2,1H3;1H
InChIKeyWCVQMKIEACKFIA-UHFFFAOYSA-N
MW265.14 g/mol
LogP0.27
Rot. Bonds1

About 4-chloro-2-methyl-5-piperazin-1-ylpyridazin-3-one;hydrochloride

4-chloro-2-methyl-5-piperazin-1-ylpyridazin-3-one;hydrochloride (PubChem CID 17297424) has the molecular formula C9H14Cl2N4O and a molecular weight of 265.14 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-piperazin-1-ylpyridazin-3-one;hydrochloride.

Molecular Properties

Compound Name4-chloro-2-methyl-5-piperazin-1-ylpyridazin-3-one;hydrochloride
PubChem CID17297424
Molecular FormulaC9H14Cl2N4O
Molecular Weight265.14 g/mol
Exact Mass264.05
IUPAC Name4-chloro-2-methyl-5-piperazin-1-ylpyridazin-3-one;hydrochloride
SMILESCl.Cn1ncc(N2CCNCC2)c(Cl)c1=O
InChIInChI=1S/C9H13ClN4O.ClH/c1-13-9(15)8(10)7(6-12-13)14-4-2-11-3-5-14;/h6,11H,2-5H2,1H3;1H
InChIKeyWCVQMKIEACKFIA-UHFFFAOYSA-N
XLogP0.27
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 50.27
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-piperazin-1-ylpyridazin-3-one;hydrochloride?
The IUPAC name of 4-chloro-2-methyl-5-piperazin-1-ylpyridazin-3-one;hydrochloride (CID 17297424) is 4-chloro-2-methyl-5-piperazin-1-ylpyridazin-3-one;hydrochloride.
What is the SMILES notation for 4-chloro-2-methyl-5-piperazin-1-ylpyridazin-3-one;hydrochloride?
The canonical SMILES for 4-chloro-2-methyl-5-piperazin-1-ylpyridazin-3-one;hydrochloride is Cl.Cn1ncc(N2CCNCC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-methyl-5-piperazin-1-ylpyridazin-3-one;hydrochloride?
The InChIKey is WCVQMKIEACKFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O.ClH/c1-13-9(15)8(10)7(6-12-13)14-4-2-11-3-5-14;/h6,11H,2-5H2,1H3;1H.
What are the key properties of 4-chloro-2-methyl-5-piperazin-1-ylpyridazin-3-one;hydrochloride?
4-chloro-2-methyl-5-piperazin-1-ylpyridazin-3-one;hydrochloride has a molecular weight of 265.14 g/mol, XLogP of 0.27, 1 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-piperazin-1-ylpyridazin-3-one;hydrochloride is sourced from PubChem (CID 17297424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).