6-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine;hydrochloride

C11H18Cl2N4 — CID 71642379

IUPAC6-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine;hydrochloride
SMILESCN(CC1CCNCC1)c1ccc(Cl)nn1.Cl
InChIInChI=1S/C11H17ClN4.ClH/c1-16(8-9-4-6-13-7-5-9)11-3-2-10(12)14-15-11;/h2-3,9,13H,4-8H2,1H3;1H
InChIKeyJDMCLCLZJAZEQY-UHFFFAOYSA-N
MW277.20 g/mol
LogP1.99
Rot. Bonds3

About 6-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine;hydrochloride

6-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine;hydrochloride (PubChem CID 71642379) has the molecular formula C11H18Cl2N4 and a molecular weight of 277.20 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine;hydrochloride.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine;hydrochloride
PubChem CID71642379
Molecular FormulaC11H18Cl2N4
Molecular Weight277.20 g/mol
Exact Mass276.09
IUPAC Name6-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine;hydrochloride
SMILESCN(CC1CCNCC1)c1ccc(Cl)nn1.Cl
InChIInChI=1S/C11H17ClN4.ClH/c1-16(8-9-4-6-13-7-5-9)11-3-2-10(12)14-15-11;/h2-3,9,13H,4-8H2,1H3;1H
InChIKeyJDMCLCLZJAZEQY-UHFFFAOYSA-N
XLogP1.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridazin-3-amine
CID 97164559
6-chloro-N-(cyclopentylmethyl)-N-methylpyridazin-3-amine
CID 63655754
5-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 79719724
N,6-dimethyl-N-[[(3S)-pyrrolidin-3-yl]methyl]pyridazin-3-amine
CID 97164558
6-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine
CID 167857979
N-methyl-N-(piperidin-4-ylmethyl)quinoxalin-2-amine;hydrochloride
CID 71642440
6-cyclobutyl-N-methyl-N-(pyrrolidin-3-ylmethyl)pyridazin-3-amine
CID 116973542
N-methyl-6-phenyl-N-(pyrrolidin-3-ylmethyl)pyridazin-3-amine
CID 116973535
N-methyl-N-(piperidin-4-ylmethyl)quinoxalin-2-amine
CID 71642441
N-methyl-2-methylsulfanyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71643294
3-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 79719150
3-chloro-6-(piperidin-4-ylmethoxymethyl)pyridazine;hydrochloride
CID 71639908

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine;hydrochloride?
The IUPAC name of 6-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine;hydrochloride (CID 71642379) is 6-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine;hydrochloride.
What is the SMILES notation for 6-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine;hydrochloride?
The canonical SMILES for 6-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine;hydrochloride is CN(CC1CCNCC1)c1ccc(Cl)nn1.Cl.
What is the InChIKey of 6-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine;hydrochloride?
The InChIKey is JDMCLCLZJAZEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4.ClH/c1-16(8-9-4-6-13-7-5-9)11-3-2-10(12)14-15-11;/h2-3,9,13H,4-8H2,1H3;1H.
What are the key properties of 6-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine;hydrochloride?
6-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine;hydrochloride has a molecular weight of 277.20 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine;hydrochloride is sourced from PubChem (CID 71642379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).