1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride

C16H15Cl3N4O2 — CID 67446536

IUPAC1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride
SMILESCl.N#Cc1nn(-c2ccc(Cl)c(Cl)c2)c(=O)cc1OC1CCNCC1
InChIInChI=1S/C16H14Cl2N4O2.ClH/c17-12-2-1-10(7-13(12)18)22-16(23)8-15(14(9-19)21-22)24-11-3-5-20-6-4-11;/h1-2,7-8,11,20H,3-6H2;1H
InChIKeyQNKIUAHZUYPDRA-UHFFFAOYSA-N
MW401.68 g/mol
LogP2.96
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride

1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride (PubChem CID 67446536) has the molecular formula C16H15Cl3N4O2 and a molecular weight of 401.68 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride
PubChem CID67446536
Molecular FormulaC16H15Cl3N4O2
Molecular Weight401.68 g/mol
Exact Mass400.03
IUPAC Name1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride
SMILESCl.N#Cc1nn(-c2ccc(Cl)c(Cl)c2)c(=O)cc1OC1CCNCC1
InChIInChI=1S/C16H14Cl2N4O2.ClH/c17-12-2-1-10(7-13(12)18)22-16(23)8-15(14(9-19)21-22)24-11-3-5-20-6-4-11;/h1-2,7-8,11,20H,3-6H2;1H
InChIKeyQNKIUAHZUYPDRA-UHFFFAOYSA-N
XLogP2.96
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.68
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-cyano-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride
CID 67447026
1-(4-bromo-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride
CID 67447366
1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carboxylic acid;hydrochloride
CID 67072615
tert-butyl 4-[3-cyano-1-(3,4-dichlorophenyl)-6-oxopyridazin-4-yl]oxypiperidine-1-carboxylate
CID 44621657
1-(4-bromo-3-fluorophenyl)-4-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-6-oxopyridazine-3-carbonitrile
CID 44621178
4-(2,4,5-trichlorophenoxy)piperidine;hydrochloride
CID 53409861
2-chloro-6-piperidin-4-yloxybenzonitrile
CID 62497393
1-(3-fluoro-4-isocyanophenyl)-6-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazine-3-carbonitrile
CID 58483085
4-chloro-6-oxo-1-phenylpyridazine-3-carbonitrile
CID 1473632
5-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-2-(3,4-dichlorophenyl)-6-(methyliminomethyl)pyridazin-3-one
CID 91388652
4-[3-cyano-1-(4-methylsulfonylphenyl)-6-oxopyridazin-4-yl]oxy-2-propan-2-ylpiperidine-1-carboxylic acid
CID 71111423
2-tert-butyl-4-[3-cyano-1-(4-nitrophenyl)-6-oxopyridazin-4-yl]oxypiperidine-1-carboxylic acid
CID 71111401

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride?
The IUPAC name of 1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride (CID 67446536) is 1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride?
The canonical SMILES for 1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride is Cl.N#Cc1nn(-c2ccc(Cl)c(Cl)c2)c(=O)cc1OC1CCNCC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride?
The InChIKey is QNKIUAHZUYPDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O2.ClH/c17-12-2-1-10(7-13(12)18)22-16(23)8-15(14(9-19)21-22)24-11-3-5-20-6-4-11;/h1-2,7-8,11,20H,3-6H2;1H.
What are the key properties of 1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride?
1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride has a molecular weight of 401.68 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 67446536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).