1-[4-[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]piperazin-1-yl]ethanone

C15H18N6O2 — CID 121114370

IUPAC1-[4-[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(-n3ccnc3C)nn2)CC1
InChIInChI=1S/C15H18N6O2/c1-11-16-5-6-21(11)14-4-3-13(17-18-14)15(23)20-9-7-19(8-10-20)12(2)22/h3-6H,7-10H2,1-2H3
InChIKeySHPAVAJUQWGIHW-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.28
Rot. Bonds2

About 1-[4-[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]piperazin-1-yl]ethanone

1-[4-[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]piperazin-1-yl]ethanone (PubChem CID 121114370) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 1-[4-[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
PubChem CID121114370
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name1-[4-[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(-n3ccnc3C)nn2)CC1
InChIInChI=1S/C15H18N6O2/c1-11-16-5-6-21(11)14-4-3-13(17-18-14)15(23)20-9-7-19(8-10-20)12(2)22/h3-6H,7-10H2,1-2H3
InChIKeySHPAVAJUQWGIHW-UHFFFAOYSA-N
XLogP0.28
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-benzylpiperidin-1-yl)-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone
CID 121114236
[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 121114369
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone
CID 121114387
1-[4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazin-1-yl]ethanone
CID 109111741
1-[4-[6-(pyrrolidine-1-carbonyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 109111901
(2-chlorophenyl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 71791222
(3,4-dimethylphenyl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121113754
(3,5-dichlorophenyl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121113880
(2,5-dimethylfuran-3-yl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121113824
1H-indol-3-yl-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121113928
[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121113744
3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 121113735

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]piperazin-1-yl]ethanone (CID 121114370) is 1-[4-[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccc(-n3ccnc3C)nn2)CC1.
What is the InChIKey of 1-[4-[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is SHPAVAJUQWGIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-11-16-5-6-21(11)14-4-3-13(17-18-14)15(23)20-9-7-19(8-10-20)12(2)22/h3-6H,7-10H2,1-2H3.
What are the key properties of 1-[4-[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]piperazin-1-yl]ethanone?
1-[4-[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 314.35 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 121114370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).