5-[4-[3-(2-ethylimidazol-1-yl)propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one

C17H24N6O2 — CID 45227534

IUPAC5-[4-[3-(2-ethylimidazol-1-yl)propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCCc1nccn1CCC(=O)N1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C17H24N6O2/c1-3-15-18-5-7-22(15)6-4-16(24)23-10-8-21(9-11-23)14-12-17(25)20(2)19-13-14/h5,7,12-13H,3-4,6,8-11H2,1-2H3
InChIKeyOGSKDEVQXZXLQH-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.28
Rot. Bonds5

About 5-[4-[3-(2-ethylimidazol-1-yl)propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one

5-[4-[3-(2-ethylimidazol-1-yl)propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one (PubChem CID 45227534) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 5-[4-[3-(2-ethylimidazol-1-yl)propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-[3-(2-ethylimidazol-1-yl)propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one
PubChem CID45227534
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name5-[4-[3-(2-ethylimidazol-1-yl)propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCCc1nccn1CCC(=O)N1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C17H24N6O2/c1-3-15-18-5-7-22(15)6-4-16(24)23-10-8-21(9-11-23)14-12-17(25)20(2)19-13-14/h5,7,12-13H,3-4,6,8-11H2,1-2H3
InChIKeyOGSKDEVQXZXLQH-UHFFFAOYSA-N
XLogP0.28
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one
CID 118766194
2-methyl-5-[4-(4-phenoxybutanoyl)piperazin-1-yl]pyridazin-3-one
CID 91774299
3-chloro-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90561527
3-(2-ethylimidazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propan-1-one
CID 131895874
(9aR)-2-[3-(2-ethylimidazol-1-yl)propanoyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95126514
3-(2-ethylimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 56744644
3-(2-ethylimidazol-1-yl)propanoic acid
CID 579344
3-cyclopentyl-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90561520
5-[4-[2-(2,3-difluorophenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 91778169
3-(2-ethylimidazol-1-yl)-1-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]propan-1-one
CID 99974237
3-(2-ethylimidazol-1-yl)-1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]propan-1-one
CID 131933415
3-(2-ethylimidazol-1-yl)-1-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 92617351

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(2-ethylimidazol-1-yl)propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[4-[3-(2-ethylimidazol-1-yl)propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one (CID 45227534) is 5-[4-[3-(2-ethylimidazol-1-yl)propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[4-[3-(2-ethylimidazol-1-yl)propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[4-[3-(2-ethylimidazol-1-yl)propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one is CCc1nccn1CCC(=O)N1CCN(c2cnn(C)c(=O)c2)CC1.
What is the InChIKey of 5-[4-[3-(2-ethylimidazol-1-yl)propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is OGSKDEVQXZXLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-3-15-18-5-7-22(15)6-4-16(24)23-10-8-21(9-11-23)14-12-17(25)20(2)19-13-14/h5,7,12-13H,3-4,6,8-11H2,1-2H3.
What are the key properties of 5-[4-[3-(2-ethylimidazol-1-yl)propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one?
5-[4-[3-(2-ethylimidazol-1-yl)propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 344.42 g/mol, XLogP of 0.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(2-ethylimidazol-1-yl)propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 45227534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).