3-(2,2-dimethylpiperazin-1-yl)-6-propan-2-ylpyridazine

C13H22N4 — CID 116972708

IUPAC3-(2,2-dimethylpiperazin-1-yl)-6-propan-2-ylpyridazine
SMILESCC(C)c1ccc(N2CCNCC2(C)C)nn1
InChIInChI=1S/C13H22N4/c1-10(2)11-5-6-12(16-15-11)17-8-7-14-9-13(17,3)4/h5-6,10,14H,7-9H2,1-4H3
InChIKeyXLAAULYWOLRBSH-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.79
Rot. Bonds2

About 3-(2,2-dimethylpiperazin-1-yl)-6-propan-2-ylpyridazine

3-(2,2-dimethylpiperazin-1-yl)-6-propan-2-ylpyridazine (PubChem CID 116972708) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 3-(2,2-dimethylpiperazin-1-yl)-6-propan-2-ylpyridazine.

Molecular Properties

Compound Name3-(2,2-dimethylpiperazin-1-yl)-6-propan-2-ylpyridazine
PubChem CID116972708
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name3-(2,2-dimethylpiperazin-1-yl)-6-propan-2-ylpyridazine
SMILESCC(C)c1ccc(N2CCNCC2(C)C)nn1
InChIInChI=1S/C13H22N4/c1-10(2)11-5-6-12(16-15-11)17-8-7-14-9-13(17,3)4/h5-6,10,14H,7-9H2,1-4H3
InChIKeyXLAAULYWOLRBSH-UHFFFAOYSA-N
XLogP1.79
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpiperazin-1-yl)-6-propan-2-ylpyridazine?
The IUPAC name of 3-(2,2-dimethylpiperazin-1-yl)-6-propan-2-ylpyridazine (CID 116972708) is 3-(2,2-dimethylpiperazin-1-yl)-6-propan-2-ylpyridazine.
What is the SMILES notation for 3-(2,2-dimethylpiperazin-1-yl)-6-propan-2-ylpyridazine?
The canonical SMILES for 3-(2,2-dimethylpiperazin-1-yl)-6-propan-2-ylpyridazine is CC(C)c1ccc(N2CCNCC2(C)C)nn1.
What is the InChIKey of 3-(2,2-dimethylpiperazin-1-yl)-6-propan-2-ylpyridazine?
The InChIKey is XLAAULYWOLRBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10(2)11-5-6-12(16-15-11)17-8-7-14-9-13(17,3)4/h5-6,10,14H,7-9H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpiperazin-1-yl)-6-propan-2-ylpyridazine?
3-(2,2-dimethylpiperazin-1-yl)-6-propan-2-ylpyridazine has a molecular weight of 234.35 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpiperazin-1-yl)-6-propan-2-ylpyridazine is sourced from PubChem (CID 116972708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).