3-chloro-4,5-dimethyl-6-piperazin-1-ylpyridazine

C10H15ClN4 — CID 59191640

IUPAC3-chloro-4,5-dimethyl-6-piperazin-1-ylpyridazine
SMILESCc1c(Cl)nnc(N2CCNCC2)c1C
InChIInChI=1S/C10H15ClN4/c1-7-8(2)10(14-13-9(7)11)15-5-3-12-4-6-15/h12H,3-6H2,1-2H3
InChIKeyAHMHBULWASBHEF-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.16
Rot. Bonds1

About 3-chloro-4,5-dimethyl-6-piperazin-1-ylpyridazine

3-chloro-4,5-dimethyl-6-piperazin-1-ylpyridazine (PubChem CID 59191640) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 3-chloro-4,5-dimethyl-6-piperazin-1-ylpyridazine.

Molecular Properties

Compound Name3-chloro-4,5-dimethyl-6-piperazin-1-ylpyridazine
PubChem CID59191640
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name3-chloro-4,5-dimethyl-6-piperazin-1-ylpyridazine
SMILESCc1c(Cl)nnc(N2CCNCC2)c1C
InChIInChI=1S/C10H15ClN4/c1-7-8(2)10(14-13-9(7)11)15-5-3-12-4-6-15/h12H,3-6H2,1-2H3
InChIKeyAHMHBULWASBHEF-UHFFFAOYSA-N
XLogP1.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethyl-6-piperazin-1-ylpyridazine?
The IUPAC name of 3-chloro-4,5-dimethyl-6-piperazin-1-ylpyridazine (CID 59191640) is 3-chloro-4,5-dimethyl-6-piperazin-1-ylpyridazine.
What is the SMILES notation for 3-chloro-4,5-dimethyl-6-piperazin-1-ylpyridazine?
The canonical SMILES for 3-chloro-4,5-dimethyl-6-piperazin-1-ylpyridazine is Cc1c(Cl)nnc(N2CCNCC2)c1C.
What is the InChIKey of 3-chloro-4,5-dimethyl-6-piperazin-1-ylpyridazine?
The InChIKey is AHMHBULWASBHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-7-8(2)10(14-13-9(7)11)15-5-3-12-4-6-15/h12H,3-6H2,1-2H3.
What are the key properties of 3-chloro-4,5-dimethyl-6-piperazin-1-ylpyridazine?
3-chloro-4,5-dimethyl-6-piperazin-1-ylpyridazine has a molecular weight of 226.71 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethyl-6-piperazin-1-ylpyridazine is sourced from PubChem (CID 59191640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).