[(2R,3R)-2-ethyloxan-3-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone

C16H24N4O2 — CID 129479295

IUPAC[(2R,3R)-2-ethyloxan-3-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone
SMILESCC[C@H]1OCCC[C@H]1C(=O)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C16H24N4O2/c1-2-14-13(5-4-12-22-14)16(21)20-10-8-19(9-11-20)15-6-3-7-17-18-15/h3,6-7,13-14H,2,4-5,8-12H2,1H3/t13-,14-/m1/s1
InChIKeyOBQCREZGHYKOOX-ZIAGYGMSSA-N
MW304.39 g/mol
LogP1.33
Rot. Bonds3

About [(2R,3R)-2-ethyloxan-3-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone

[(2R,3R)-2-ethyloxan-3-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone (PubChem CID 129479295) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is [(2R,3R)-2-ethyloxan-3-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(2R,3R)-2-ethyloxan-3-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone
PubChem CID129479295
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name[(2R,3R)-2-ethyloxan-3-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone
SMILESCC[C@H]1OCCC[C@H]1C(=O)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C16H24N4O2/c1-2-14-13(5-4-12-22-14)16(21)20-10-8-19(9-11-20)15-6-3-7-17-18-15/h3,6-7,13-14H,2,4-5,8-12H2,1H3/t13-,14-/m1/s1
InChIKeyOBQCREZGHYKOOX-ZIAGYGMSSA-N
XLogP1.33
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,3S)-2-ethyloxan-3-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 129479414
(2-ethyloxan-3-yl)-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
CID 128995882
[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-(2-ethyloxan-3-yl)methanone
CID 128995894
[(2S,3S)-2-ethyloxan-3-yl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
CID 129492752
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)propan-1-one
CID 100843241
2-(cyclopentylmethyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)pentan-1-one
CID 126769163
N-(1-methylpiperidin-4-yl)-4-pyridazin-3-ylpiperazine-1-carboxamide
CID 126771166
(4-methylphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060278
N-[4-(oxolan-2-ylmethoxy)phenyl]-4-pyridazin-3-ylpiperazine-1-carboxamide
CID 134813193
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120799693
[(2R,3S)-2-ethyloxan-3-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 129492691
2-[4-[(2R,3R)-2-ethyloxane-3-carbonyl]piperazin-1-yl]-N-methylacetamide
CID 129492016

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-ethyloxan-3-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of [(2R,3R)-2-ethyloxan-3-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone (CID 129479295) is [(2R,3R)-2-ethyloxan-3-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [(2R,3R)-2-ethyloxan-3-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for [(2R,3R)-2-ethyloxan-3-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone is CC[C@H]1OCCC[C@H]1C(=O)N1CCN(c2cccnn2)CC1.
What is the InChIKey of [(2R,3R)-2-ethyloxan-3-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The InChIKey is OBQCREZGHYKOOX-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-2-14-13(5-4-12-22-14)16(21)20-10-8-19(9-11-20)15-6-3-7-17-18-15/h3,6-7,13-14H,2,4-5,8-12H2,1H3/t13-,14-/m1/s1.
What are the key properties of [(2R,3R)-2-ethyloxan-3-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
[(2R,3R)-2-ethyloxan-3-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone has a molecular weight of 304.39 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-ethyloxan-3-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 129479295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).