3-chloro-4,5-dimethyl-6-[(3R)-3-methylpiperazin-1-yl]pyridazine

C11H17ClN4 — CID 59191518

IUPAC3-chloro-4,5-dimethyl-6-[(3R)-3-methylpiperazin-1-yl]pyridazine
SMILESCc1c(Cl)nnc(N2CCN[C@H](C)C2)c1C
InChIInChI=1S/C11H17ClN4/c1-7-6-16(5-4-13-7)11-9(3)8(2)10(12)14-15-11/h7,13H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyREWSGTUSPKNTGE-SSDOTTSWSA-N
MW240.74 g/mol
LogP1.54
Rot. Bonds1

About 3-chloro-4,5-dimethyl-6-[(3R)-3-methylpiperazin-1-yl]pyridazine

3-chloro-4,5-dimethyl-6-[(3R)-3-methylpiperazin-1-yl]pyridazine (PubChem CID 59191518) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 3-chloro-4,5-dimethyl-6-[(3R)-3-methylpiperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-chloro-4,5-dimethyl-6-[(3R)-3-methylpiperazin-1-yl]pyridazine
PubChem CID59191518
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name3-chloro-4,5-dimethyl-6-[(3R)-3-methylpiperazin-1-yl]pyridazine
SMILESCc1c(Cl)nnc(N2CCN[C@H](C)C2)c1C
InChIInChI=1S/C11H17ClN4/c1-7-6-16(5-4-13-7)11-9(3)8(2)10(12)14-15-11/h7,13H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyREWSGTUSPKNTGE-SSDOTTSWSA-N
XLogP1.54
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 51.54
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-[(3R)-3-methylpiperazin-1-yl]pyridazine?
The IUPAC name of 3-chloro-4,5-dimethyl-6-[(3R)-3-methylpiperazin-1-yl]pyridazine (CID 59191518) is 3-chloro-4,5-dimethyl-6-[(3R)-3-methylpiperazin-1-yl]pyridazine.
What is the SMILES notation for 3-chloro-4,5-dimethyl-6-[(3R)-3-methylpiperazin-1-yl]pyridazine?
The canonical SMILES for 3-chloro-4,5-dimethyl-6-[(3R)-3-methylpiperazin-1-yl]pyridazine is Cc1c(Cl)nnc(N2CCN[C@H](C)C2)c1C.
What is the InChIKey of 3-chloro-4,5-dimethyl-6-[(3R)-3-methylpiperazin-1-yl]pyridazine?
The InChIKey is REWSGTUSPKNTGE-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-7-6-16(5-4-13-7)11-9(3)8(2)10(12)14-15-11/h7,13H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of 3-chloro-4,5-dimethyl-6-[(3R)-3-methylpiperazin-1-yl]pyridazine?
3-chloro-4,5-dimethyl-6-[(3R)-3-methylpiperazin-1-yl]pyridazine has a molecular weight of 240.74 g/mol, XLogP of 1.54, 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-[(3R)-3-methylpiperazin-1-yl]pyridazine is sourced from PubChem (CID 59191518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).