3-chloro-6-(4,4-diethylpiperidin-1-yl)-4,5-dimethylpyridazine

C15H24ClN3 — CID 63272131

IUPAC3-chloro-6-(4,4-diethylpiperidin-1-yl)-4,5-dimethylpyridazine
SMILESCCC1(CC)CCN(c2nnc(Cl)c(C)c2C)CC1
InChIInChI=1S/C15H24ClN3/c1-5-15(6-2)7-9-19(10-8-15)14-12(4)11(3)13(16)17-18-14/h5-10H2,1-4H3
InChIKeyXDFLPOFXHHILFI-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.15
Rot. Bonds3

About 3-chloro-6-(4,4-diethylpiperidin-1-yl)-4,5-dimethylpyridazine

3-chloro-6-(4,4-diethylpiperidin-1-yl)-4,5-dimethylpyridazine (PubChem CID 63272131) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 3-chloro-6-(4,4-diethylpiperidin-1-yl)-4,5-dimethylpyridazine.

Molecular Properties

Compound Name3-chloro-6-(4,4-diethylpiperidin-1-yl)-4,5-dimethylpyridazine
PubChem CID63272131
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name3-chloro-6-(4,4-diethylpiperidin-1-yl)-4,5-dimethylpyridazine
SMILESCCC1(CC)CCN(c2nnc(Cl)c(C)c2C)CC1
InChIInChI=1S/C15H24ClN3/c1-5-15(6-2)7-9-19(10-8-15)14-12(4)11(3)13(16)17-18-14/h5-10H2,1-4H3
InChIKeyXDFLPOFXHHILFI-UHFFFAOYSA-N
XLogP4.15
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(4,4-diethylpiperidin-1-yl)-4,5-dimethylpyridazine?
The IUPAC name of 3-chloro-6-(4,4-diethylpiperidin-1-yl)-4,5-dimethylpyridazine (CID 63272131) is 3-chloro-6-(4,4-diethylpiperidin-1-yl)-4,5-dimethylpyridazine.
What is the SMILES notation for 3-chloro-6-(4,4-diethylpiperidin-1-yl)-4,5-dimethylpyridazine?
The canonical SMILES for 3-chloro-6-(4,4-diethylpiperidin-1-yl)-4,5-dimethylpyridazine is CCC1(CC)CCN(c2nnc(Cl)c(C)c2C)CC1.
What is the InChIKey of 3-chloro-6-(4,4-diethylpiperidin-1-yl)-4,5-dimethylpyridazine?
The InChIKey is XDFLPOFXHHILFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-5-15(6-2)7-9-19(10-8-15)14-12(4)11(3)13(16)17-18-14/h5-10H2,1-4H3.
What are the key properties of 3-chloro-6-(4,4-diethylpiperidin-1-yl)-4,5-dimethylpyridazine?
3-chloro-6-(4,4-diethylpiperidin-1-yl)-4,5-dimethylpyridazine has a molecular weight of 281.83 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(4,4-diethylpiperidin-1-yl)-4,5-dimethylpyridazine is sourced from PubChem (CID 63272131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).