N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methylacetamide

C13H17Cl2N3O2 — CID 78761092

IUPACN-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methylacetamide
SMILESCN(C(=O)Cn1ncc(Cl)c(Cl)c1=O)C1CCCCC1
InChIInChI=1S/C13H17Cl2N3O2/c1-17(9-5-3-2-4-6-9)11(19)8-18-13(20)12(15)10(14)7-16-18/h7,9H,2-6,8H2,1H3
InChIKeyFYPSSERVHAMPBW-UHFFFAOYSA-N
MW318.20 g/mol
LogP2.34
Rot. Bonds3

About N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methylacetamide

N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methylacetamide (PubChem CID 78761092) has the molecular formula C13H17Cl2N3O2 and a molecular weight of 318.20 g/mol. Its IUPAC name is N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methylacetamide
PubChem CID78761092
Molecular FormulaC13H17Cl2N3O2
Molecular Weight318.20 g/mol
Exact Mass317.07
IUPAC NameN-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methylacetamide
SMILESCN(C(=O)Cn1ncc(Cl)c(Cl)c1=O)C1CCCCC1
InChIInChI=1S/C13H17Cl2N3O2/c1-17(9-5-3-2-4-6-9)11(19)8-18-13(20)12(15)10(14)7-16-18/h7,9H,2-6,8H2,1H3
InChIKeyFYPSSERVHAMPBW-UHFFFAOYSA-N
XLogP2.34
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dichloro-2-cyclohexylpyridazin-3(2H)-one
CID 12351836
N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 2701065
3(2H)-Pyridazinone, 4,5-dichloro-2-(2-(1-piperidinyl)ethyl)-, monohydrochloride
CID 3063361
2-[2-(Azepan-1-yl)-2-oxoethyl]-4,5-dichloropyridazin-3-one
CID 4826952
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
CID 8862131
4,5-Dichloro-2-cyclohexylpyridazin-3-one;ethane
CID 144572037
4,5-dichloro-2-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 2585147
4,5-dichloro-2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 2585151
4,5-dichloro-2-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 2585156
4,5-dichloro-2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 2585273
4,5-dichloro-2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 2585276
4,5-dichloro-2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 2585279

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methylacetamide (CID 78761092) is N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methylacetamide is CN(C(=O)Cn1ncc(Cl)c(Cl)c1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methylacetamide?
The InChIKey is FYPSSERVHAMPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O2/c1-17(9-5-3-2-4-6-9)11(19)8-18-13(20)12(15)10(14)7-16-18/h7,9H,2-6,8H2,1H3.
What are the key properties of N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methylacetamide?
N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methylacetamide has a molecular weight of 318.20 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methylacetamide is sourced from PubChem (CID 78761092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).