(3S)-4-[(6-chloropyridazin-3-yl)methyl]-3-ethylpiperazin-2-one

C11H15ClN4O — CID 129395126

IUPAC(3S)-4-[(6-chloropyridazin-3-yl)methyl]-3-ethylpiperazin-2-one
SMILESCC[C@H]1C(=O)NCCN1Cc1ccc(Cl)nn1
InChIInChI=1S/C11H15ClN4O/c1-2-9-11(17)13-5-6-16(9)7-8-3-4-10(12)15-14-8/h3-4,9H,2,5-7H2,1H3,(H,13,17)/t9-/m0/s1
InChIKeyFVLVYTFOKRHZBB-VIFPVBQESA-N
MW254.72 g/mol
LogP0.84
Rot. Bonds3

About (3S)-4-[(6-chloropyridazin-3-yl)methyl]-3-ethylpiperazin-2-one

(3S)-4-[(6-chloropyridazin-3-yl)methyl]-3-ethylpiperazin-2-one (PubChem CID 129395126) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is (3S)-4-[(6-chloropyridazin-3-yl)methyl]-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-4-[(6-chloropyridazin-3-yl)methyl]-3-ethylpiperazin-2-one
PubChem CID129395126
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name(3S)-4-[(6-chloropyridazin-3-yl)methyl]-3-ethylpiperazin-2-one
SMILESCC[C@H]1C(=O)NCCN1Cc1ccc(Cl)nn1
InChIInChI=1S/C11H15ClN4O/c1-2-9-11(17)13-5-6-16(9)7-8-3-4-10(12)15-14-8/h3-4,9H,2,5-7H2,1H3,(H,13,17)/t9-/m0/s1
InChIKeyFVLVYTFOKRHZBB-VIFPVBQESA-N
XLogP0.84
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-4-[(8-chloroquinolin-2-yl)methyl]-3-ethylpiperazin-2-one
CID 99935353
(3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one
CID 99929898
4-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-ethylpiperazin-2-one
CID 63888466
4-[[2-(aminomethyl)-3-pyridinyl]methyl]-3-ethylpiperazin-2-one
CID 63602695
6-[(2-ethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909271
methyl 4-[[(2S)-2-ethyl-3-oxopiperazin-1-yl]methyl]benzoate
CID 124545764
1-[(6-chloropyridazin-3-yl)methyl]piperazine-2-carboxylic acid
CID 71646339
3-chloro-6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridazine
CID 97163264
4-[(E)-3-chloroprop-2-enyl]-3-ethylpiperazin-2-one
CID 131234767
2-[(2-ethyl-3-oxopiperazin-1-yl)methyl]furan-3-carboxylic acid
CID 63600974
3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one
CID 80613683
4-[(3-amino-4-hydroxyphenyl)methyl]-3-ethylpiperazin-2-one
CID 63602866

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(6-chloropyridazin-3-yl)methyl]-3-ethylpiperazin-2-one?
The IUPAC name of (3S)-4-[(6-chloropyridazin-3-yl)methyl]-3-ethylpiperazin-2-one (CID 129395126) is (3S)-4-[(6-chloropyridazin-3-yl)methyl]-3-ethylpiperazin-2-one.
What is the SMILES notation for (3S)-4-[(6-chloropyridazin-3-yl)methyl]-3-ethylpiperazin-2-one?
The canonical SMILES for (3S)-4-[(6-chloropyridazin-3-yl)methyl]-3-ethylpiperazin-2-one is CC[C@H]1C(=O)NCCN1Cc1ccc(Cl)nn1.
What is the InChIKey of (3S)-4-[(6-chloropyridazin-3-yl)methyl]-3-ethylpiperazin-2-one?
The InChIKey is FVLVYTFOKRHZBB-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15ClN4O/c1-2-9-11(17)13-5-6-16(9)7-8-3-4-10(12)15-14-8/h3-4,9H,2,5-7H2,1H3,(H,13,17)/t9-/m0/s1.
What are the key properties of (3S)-4-[(6-chloropyridazin-3-yl)methyl]-3-ethylpiperazin-2-one?
(3S)-4-[(6-chloropyridazin-3-yl)methyl]-3-ethylpiperazin-2-one has a molecular weight of 254.72 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(6-chloropyridazin-3-yl)methyl]-3-ethylpiperazin-2-one is sourced from PubChem (CID 129395126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).