[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

C17H20Cl2N4OS — CID 119492330

IUPAC[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2ccc(Sc3ccccc3Cl)nn2)C1.Cl
InChIInChI=1S/C17H19ClN4OS.ClH/c1-19-12-5-4-10-22(11-12)17(23)14-8-9-16(21-20-14)24-15-7-3-2-6-13(15)18;/h2-3,6-9,12,19H,4-5,10-11H2,1H3;1H
InChIKeyKFJVLHVFSYJXTH-UHFFFAOYSA-N
MW399.35 g/mol
LogP3.53
Rot. Bonds4

About [6-(2-chlorophenyl)sulfanylpyridazin-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119492330) has the molecular formula C17H20Cl2N4OS and a molecular weight of 399.35 g/mol. Its IUPAC name is [6-(2-chlorophenyl)sulfanylpyridazin-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119492330
Molecular FormulaC17H20Cl2N4OS
Molecular Weight399.35 g/mol
Exact Mass398.07
IUPAC Name[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2ccc(Sc3ccccc3Cl)nn2)C1.Cl
InChIInChI=1S/C17H19ClN4OS.ClH/c1-19-12-5-4-10-22(11-12)17(23)14-8-9-16(21-20-14)24-15-7-3-2-6-13(15)18;/h2-3,6-9,12,19H,4-5,10-11H2,1H3;1H
InChIKeyKFJVLHVFSYJXTH-UHFFFAOYSA-N
XLogP3.53
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-(2-chlorophenyl)sulfanylpyridazin-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride with MolForge

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Related Compounds

azetidin-1-yl-[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]methanone
CID 71867029
ethyl 3-[(3R)-1-[6-(2-chlorophenyl)sulfanylpyridazine-3-carbonyl]piperidin-3-yl]propanoate
CID 97240402
[(3R)-3-(methylamino)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 124587818
5-[3-(methylamino)piperidine-1-carbonyl]pyridine-2-carboxamide;hydrochloride
CID 119493800
(3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 107098081
[1-(2-chlorophenyl)-5-methyltriazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488163
N-[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]acetamide
CID 61051093
[3-(methylamino)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone;hydrochloride
CID 119491725
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489210
(3-chloro-2-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 81265224
[3-(methylamino)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone
CID 119491726
[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119492881

Frequently Asked Questions

What is the IUPAC name of [6-(2-chlorophenyl)sulfanylpyridazin-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [6-(2-chlorophenyl)sulfanylpyridazin-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119492330) is [6-(2-chlorophenyl)sulfanylpyridazin-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [6-(2-chlorophenyl)sulfanylpyridazin-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [6-(2-chlorophenyl)sulfanylpyridazin-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCCN(C(=O)c2ccc(Sc3ccccc3Cl)nn2)C1.Cl.
What is the InChIKey of [6-(2-chlorophenyl)sulfanylpyridazin-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is KFJVLHVFSYJXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4OS.ClH/c1-19-12-5-4-10-22(11-12)17(23)14-8-9-16(21-20-14)24-15-7-3-2-6-13(15)18;/h2-3,6-9,12,19H,4-5,10-11H2,1H3;1H.
What are the key properties of [6-(2-chlorophenyl)sulfanylpyridazin-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 399.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-chlorophenyl)sulfanylpyridazin-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119492330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).