[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(6-methoxypyridazin-3-yl)methanone

C16H22N6O2 — CID 128971897

IUPAC[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(6-methoxypyridazin-3-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(OC)nn2)CC1c1nccn1C
InChIInChI=1S/C16H22N6O2/c1-4-21-9-10-22(11-13(21)15-17-7-8-20(15)2)16(23)12-5-6-14(24-3)19-18-12/h5-8,13H,4,9-11H2,1-3H3
InChIKeyPDJKLYIHWPVMTJ-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.74
Rot. Bonds4

About [4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(6-methoxypyridazin-3-yl)methanone

[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(6-methoxypyridazin-3-yl)methanone (PubChem CID 128971897) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is [4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(6-methoxypyridazin-3-yl)methanone.

Molecular Properties

Compound Name[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(6-methoxypyridazin-3-yl)methanone
PubChem CID128971897
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(6-methoxypyridazin-3-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(OC)nn2)CC1c1nccn1C
InChIInChI=1S/C16H22N6O2/c1-4-21-9-10-22(11-13(21)15-17-7-8-20(15)2)16(23)12-5-6-14(24-3)19-18-12/h5-8,13H,4,9-11H2,1-3H3
InChIKeyPDJKLYIHWPVMTJ-UHFFFAOYSA-N
XLogP0.74
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(furan-3-yl)methanone
CID 129329973
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 128972777
[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 129340807
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-ethyl-4-pyridinyl)methanone
CID 129340403
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 129001271
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 129007005
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 128997602
[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 129341691
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 129007007
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 129338040
1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-5-methoxy-2-methylpentan-1-one
CID 129000682
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129328537

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(6-methoxypyridazin-3-yl)methanone?
The IUPAC name of [4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(6-methoxypyridazin-3-yl)methanone (CID 128971897) is [4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(6-methoxypyridazin-3-yl)methanone.
What is the SMILES notation for [4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(6-methoxypyridazin-3-yl)methanone?
The canonical SMILES for [4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(6-methoxypyridazin-3-yl)methanone is CCN1CCN(C(=O)c2ccc(OC)nn2)CC1c1nccn1C.
What is the InChIKey of [4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(6-methoxypyridazin-3-yl)methanone?
The InChIKey is PDJKLYIHWPVMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-4-21-9-10-22(11-13(21)15-17-7-8-20(15)2)16(23)12-5-6-14(24-3)19-18-12/h5-8,13H,4,9-11H2,1-3H3.
What are the key properties of [4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(6-methoxypyridazin-3-yl)methanone?
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(6-methoxypyridazin-3-yl)methanone has a molecular weight of 330.39 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(6-methoxypyridazin-3-yl)methanone is sourced from PubChem (CID 128971897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).