4-piperidin-4-ylpyridazine;dihydrochloride

C9H15Cl2N3 — CID 136574194

IUPAC4-piperidin-4-ylpyridazine;dihydrochloride
SMILESCl.Cl.c1cc(C2CCNCC2)cnn1
InChIInChI=1S/C9H13N3.2ClH/c1-4-10-5-2-8(1)9-3-6-11-12-7-9;;/h3,6-8,10H,1-2,4-5H2;2*1H
InChIKeyDSIDYGXWSIJTLE-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.79
Rot. Bonds1

About 4-piperidin-4-ylpyridazine;dihydrochloride

4-piperidin-4-ylpyridazine;dihydrochloride (PubChem CID 136574194) has the molecular formula C9H15Cl2N3 and a molecular weight of 236.15 g/mol. Its IUPAC name is 4-piperidin-4-ylpyridazine;dihydrochloride.

Molecular Properties

Compound Name4-piperidin-4-ylpyridazine;dihydrochloride
PubChem CID136574194
Molecular FormulaC9H15Cl2N3
Molecular Weight236.15 g/mol
Exact Mass235.06
IUPAC Name4-piperidin-4-ylpyridazine;dihydrochloride
SMILESCl.Cl.c1cc(C2CCNCC2)cnn1
InChIInChI=1S/C9H13N3.2ClH/c1-4-10-5-2-8(1)9-3-6-11-12-7-9;;/h3,6-8,10H,1-2,4-5H2;2*1H
InChIKeyDSIDYGXWSIJTLE-UHFFFAOYSA-N
XLogP1.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Pyridazin-4-yl)propan-1-amine dihydrochloride
CID 129245109
5H,6H,7H,8H-pyrido(4,3-c)pyridazine dihydrochloride
CID 137945026
2-(Pyridazin-4-yl)ethan-1-amine dihydrochloride
CID 137951185
3-(Piperidin-4-yl)pyridazine dihydrochloride
CID 145867173
Methyl[1-(pyridazin-4-yl)ethyl]amine dihydrochloride
CID 167737793
2-(Pyridazin-4-YL)ethan-1-amine
CID 28924765
3-(Piperidin-4-yl)pyridazine
CID 53883965
4-(Piperidin-4-yl)pyridazine
CID 53925246
3-(Pyridazin-4-yl)propan-1-amine
CID 112757524
Methyl[1-(pyridazin-4-yl)ethyl]amine
CID 121600285
4-Piperidin-4-yl-3-(trifluoromethyl)pyridazine;hydrochloride
CID 139510206
4-Piperidin-4-yl-3-(trifluoromethyl)pyridazine
CID 139510207

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-ylpyridazine;dihydrochloride?
The IUPAC name of 4-piperidin-4-ylpyridazine;dihydrochloride (CID 136574194) is 4-piperidin-4-ylpyridazine;dihydrochloride.
What is the SMILES notation for 4-piperidin-4-ylpyridazine;dihydrochloride?
The canonical SMILES for 4-piperidin-4-ylpyridazine;dihydrochloride is Cl.Cl.c1cc(C2CCNCC2)cnn1.
What is the InChIKey of 4-piperidin-4-ylpyridazine;dihydrochloride?
The InChIKey is DSIDYGXWSIJTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3.2ClH/c1-4-10-5-2-8(1)9-3-6-11-12-7-9;;/h3,6-8,10H,1-2,4-5H2;2*1H.
What are the key properties of 4-piperidin-4-ylpyridazine;dihydrochloride?
4-piperidin-4-ylpyridazine;dihydrochloride has a molecular weight of 236.15 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-ylpyridazine;dihydrochloride is sourced from PubChem (CID 136574194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).