4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridazin-6-one

C10H16N4O — CID 138484119

IUPAC4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridazin-6-one
SMILESCC[C@@H]1CNCCN1c1cn[nH]c(=O)c1
InChIInChI=1S/C10H16N4O/c1-2-8-6-11-3-4-14(8)9-5-10(15)13-12-7-9/h5,7-8,11H,2-4,6H2,1H3,(H,13,15)/t8-/m1/s1
InChIKeyKXEVMVLMOGZEOB-MRVPVSSYSA-N
MW208.26 g/mol
LogP-0.04
Rot. Bonds2

About 4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridazin-6-one

4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 138484119) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridazin-6-one
PubChem CID138484119
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridazin-6-one
SMILESCC[C@@H]1CNCCN1c1cn[nH]c(=O)c1
InChIInChI=1S/C10H16N4O/c1-2-8-6-11-3-4-14(8)9-5-10(15)13-12-7-9/h5,7-8,11H,2-4,6H2,1H3,(H,13,15)/t8-/m1/s1
InChIKeyKXEVMVLMOGZEOB-MRVPVSSYSA-N
XLogP-0.04
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridin-2-one
CID 138472332
2-ethyl-1-(4-iodophenyl)piperazine
CID 64931488
1-[4-[(2S)-2-ethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione
CID 171406933
[3-(2-ethylpiperazin-1-yl)phenyl]methanamine
CID 174498888
1-cyclopropyl-3-(2-ethylpiperazin-1-yl)pyrazin-2-one
CID 63601294
3-(2-ethylpiperazin-1-yl)-1-propylpyrazin-2-one
CID 63600952
2-[4-(2-ethylpiperazin-1-yl)phenyl]propan-2-ol
CID 70659457
5-(2-ethylpiperazin-1-yl)-3-methyl-1,2-oxazole
CID 82670184
2-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]piperazine
CID 64933076
5-chloro-4-(2-ethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 137008146
1-(4-bromo-2-ethylphenyl)-2-ethylpiperazine
CID 81287006
4-ethyl-6-(2-ethylpiperazin-1-yl)pyrimidine
CID 63600778

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridazin-6-one (CID 138484119) is 4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridazin-6-one is CC[C@@H]1CNCCN1c1cn[nH]c(=O)c1.
What is the InChIKey of 4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is KXEVMVLMOGZEOB-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-2-8-6-11-3-4-14(8)9-5-10(15)13-12-7-9/h5,7-8,11H,2-4,6H2,1H3,(H,13,15)/t8-/m1/s1.
What are the key properties of 4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridazin-6-one?
4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 208.26 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 138484119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).