4-[(2S)-piperidin-2-yl]pyridazine;hydrochloride

C9H14ClN3 — CID 138376376

IUPAC4-[(2S)-piperidin-2-yl]pyridazine;hydrochloride
SMILESCl.c1cc([C@@H]2CCCCN2)cnn1
InChIInChI=1S/C9H13N3.ClH/c1-2-5-10-9(3-1)8-4-6-11-12-7-8;/h4,6-7,9-10H,1-3,5H2;1H/t9-;/m0./s1
InChIKeyQTPFTNUTMCHQMC-FVGYRXGTSA-N
MW199.69 g/mol
LogP1.71
Rot. Bonds1

About 4-[(2S)-piperidin-2-yl]pyridazine;hydrochloride

4-[(2S)-piperidin-2-yl]pyridazine;hydrochloride (PubChem CID 138376376) has the molecular formula C9H14ClN3 and a molecular weight of 199.69 g/mol. Its IUPAC name is 4-[(2S)-piperidin-2-yl]pyridazine;hydrochloride.

Molecular Properties

Compound Name4-[(2S)-piperidin-2-yl]pyridazine;hydrochloride
PubChem CID138376376
Molecular FormulaC9H14ClN3
Molecular Weight199.69 g/mol
Exact Mass199.09
IUPAC Name4-[(2S)-piperidin-2-yl]pyridazine;hydrochloride
SMILESCl.c1cc([C@@H]2CCCCN2)cnn1
InChIInChI=1S/C9H13N3.ClH/c1-2-5-10-9(3-1)8-4-6-11-12-7-8;/h4,6-7,9-10H,1-3,5H2;1H/t9-;/m0./s1
InChIKeyQTPFTNUTMCHQMC-FVGYRXGTSA-N
XLogP1.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.69
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridazin-4-ylazepane
CID 104670038
4-[(2R)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 171195835
2-chloro-5-[(2S)-piperidin-2-yl]pyridine;dihydrochloride
CID 164890613
2-chloro-5-[(2S)-piperidin-2-yl]pyridine;hydrochloride
CID 171194804
2-fluoro-5-[(2S)-piperidin-2-yl]pyridine
CID 55277900
(2S)-2-phenylpiperidine
CID 10997356
5-piperidin-2-ylpyrimidin-2-amine
CID 82409904
(2R)-2-(4-chlorophenyl)piperidine;hydrochloride
CID 155903197
(4-piperidin-2-yl-2-pyridinyl)methanol
CID 84772444
4-piperidin-2-ylphenol
CID 19711202
(2S)-2-(4-bromophenyl)piperidine
CID 7022866
5-piperidin-2-ylpyridine-2-carbonitrile
CID 55271438

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-piperidin-2-yl]pyridazine;hydrochloride?
The IUPAC name of 4-[(2S)-piperidin-2-yl]pyridazine;hydrochloride (CID 138376376) is 4-[(2S)-piperidin-2-yl]pyridazine;hydrochloride.
What is the SMILES notation for 4-[(2S)-piperidin-2-yl]pyridazine;hydrochloride?
The canonical SMILES for 4-[(2S)-piperidin-2-yl]pyridazine;hydrochloride is Cl.c1cc([C@@H]2CCCCN2)cnn1.
What is the InChIKey of 4-[(2S)-piperidin-2-yl]pyridazine;hydrochloride?
The InChIKey is QTPFTNUTMCHQMC-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H13N3.ClH/c1-2-5-10-9(3-1)8-4-6-11-12-7-8;/h4,6-7,9-10H,1-3,5H2;1H/t9-;/m0./s1.
What are the key properties of 4-[(2S)-piperidin-2-yl]pyridazine;hydrochloride?
4-[(2S)-piperidin-2-yl]pyridazine;hydrochloride has a molecular weight of 199.69 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-piperidin-2-yl]pyridazine;hydrochloride is sourced from PubChem (CID 138376376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).