2-methoxy-1-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone

C17H24N6O2 — CID 121034137

IUPAC2-methoxy-1-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(c2ccc(-n3nc(C)c(C)c3C)nn2)CC1
InChIInChI=1S/C17H24N6O2/c1-12-13(2)20-23(14(12)3)16-6-5-15(18-19-16)21-7-9-22(10-8-21)17(24)11-25-4/h5-6H,7-11H2,1-4H3
InChIKeyRMKHZICPFQTTSS-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.88
Rot. Bonds4

About 2-methoxy-1-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone

2-methoxy-1-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone (PubChem CID 121034137) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-methoxy-1-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
PubChem CID121034137
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name2-methoxy-1-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(c2ccc(-n3nc(C)c(C)c3C)nn2)CC1
InChIInChI=1S/C17H24N6O2/c1-12-13(2)20-23(14(12)3)16-6-5-15(18-19-16)21-7-9-22(10-8-21)17(24)11-25-4/h5-6H,7-11H2,1-4H3
InChIKeyRMKHZICPFQTTSS-UHFFFAOYSA-N
XLogP0.88
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053948
6-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one
CID 53081939
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-pyrimidin-2-yloxyethanone
CID 70703856
1-(azepan-1-yl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propan-1-one
CID 20946910
1-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone
CID 122345316
3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 20946865
1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 16883364
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 121034155
2-(4-methoxyphenoxy)-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122334342
2-methoxy-1-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]ethanone
CID 134801591
2-pyrimidin-2-yloxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 121086814
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-2-methoxyethanone
CID 133283460

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone (CID 121034137) is 2-methoxy-1-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone is COCC(=O)N1CCN(c2ccc(-n3nc(C)c(C)c3C)nn2)CC1.
What is the InChIKey of 2-methoxy-1-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is RMKHZICPFQTTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-12-13(2)20-23(14(12)3)16-6-5-15(18-19-16)21-7-9-22(10-8-21)17(24)11-25-4/h5-6H,7-11H2,1-4H3.
What are the key properties of 2-methoxy-1-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
2-methoxy-1-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 344.42 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 121034137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).