1-[6-(3,5-dimethylpyrazolidin-4-yl)pyridazin-3-yl]azepane

C15H25N5 — CID 134127454

IUPAC1-[6-(3,5-dimethylpyrazolidin-4-yl)pyridazin-3-yl]azepane
SMILESCC1NNC(C)C1c1ccc(N2CCCCCC2)nn1
InChIInChI=1S/C15H25N5/c1-11-15(12(2)17-16-11)13-7-8-14(19-18-13)20-9-5-3-4-6-10-20/h7-8,11-12,15-17H,3-6,9-10H2,1-2H3
InChIKeyMUWVUOACKCSBRL-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.83
Rot. Bonds2

About 1-[6-(3,5-dimethylpyrazolidin-4-yl)pyridazin-3-yl]azepane

1-[6-(3,5-dimethylpyrazolidin-4-yl)pyridazin-3-yl]azepane (PubChem CID 134127454) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[6-(3,5-dimethylpyrazolidin-4-yl)pyridazin-3-yl]azepane.

Molecular Properties

Compound Name1-[6-(3,5-dimethylpyrazolidin-4-yl)pyridazin-3-yl]azepane
PubChem CID134127454
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name1-[6-(3,5-dimethylpyrazolidin-4-yl)pyridazin-3-yl]azepane
SMILESCC1NNC(C)C1c1ccc(N2CCCCCC2)nn1
InChIInChI=1S/C15H25N5/c1-11-15(12(2)17-16-11)13-7-8-14(19-18-13)20-9-5-3-4-6-10-20/h7-8,11-12,15-17H,3-6,9-10H2,1-2H3
InChIKeyMUWVUOACKCSBRL-UHFFFAOYSA-N
XLogP1.83
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-piperidin-1-yl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyridazine
CID 171700804
3-(5-methyl-1H-pyrazol-4-yl)-6-pyrrolidin-1-ylpyridazine
CID 122572514
4-(6-piperidin-1-ylpyridazin-3-yl)aniline
CID 51711955
3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 165433334
3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-6-piperidin-1-ylpyridazine
CID 165432773
1-[5-(trifluoromethoxy)-2-pyridinyl]azepane
CID 133487864
1-[6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]pyridazin-3-yl]azepane
CID 122335071
3-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-piperidin-1-ylpyridazine
CID 122334779
6-(4-methylpiperidin-1-yl)pyridazin-3-amine
CID 66520536
3-ethynyl-6-pyrrolidin-1-ylpyridazine
CID 89272201
oxan-4-yl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334392
3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazine
CID 101436801

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethylpyrazolidin-4-yl)pyridazin-3-yl]azepane?
The IUPAC name of 1-[6-(3,5-dimethylpyrazolidin-4-yl)pyridazin-3-yl]azepane (CID 134127454) is 1-[6-(3,5-dimethylpyrazolidin-4-yl)pyridazin-3-yl]azepane.
What is the SMILES notation for 1-[6-(3,5-dimethylpyrazolidin-4-yl)pyridazin-3-yl]azepane?
The canonical SMILES for 1-[6-(3,5-dimethylpyrazolidin-4-yl)pyridazin-3-yl]azepane is CC1NNC(C)C1c1ccc(N2CCCCCC2)nn1.
What is the InChIKey of 1-[6-(3,5-dimethylpyrazolidin-4-yl)pyridazin-3-yl]azepane?
The InChIKey is MUWVUOACKCSBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-11-15(12(2)17-16-11)13-7-8-14(19-18-13)20-9-5-3-4-6-10-20/h7-8,11-12,15-17H,3-6,9-10H2,1-2H3.
What are the key properties of 1-[6-(3,5-dimethylpyrazolidin-4-yl)pyridazin-3-yl]azepane?
1-[6-(3,5-dimethylpyrazolidin-4-yl)pyridazin-3-yl]azepane has a molecular weight of 275.40 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,5-dimethylpyrazolidin-4-yl)pyridazin-3-yl]azepane is sourced from PubChem (CID 134127454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).