6-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one

C17H28N4O3 — CID 97028133

IUPAC6-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one
SMILESCCCn1nc(C(=O)N2CCN(CCOC)[C@@H](CC)C2)ccc1=O
InChIInChI=1S/C17H28N4O3/c1-4-8-21-16(22)7-6-15(18-21)17(23)20-10-9-19(11-12-24-3)14(5-2)13-20/h6-7,14H,4-5,8-13H2,1-3H3/t14-/m0/s1
InChIKeyVJOBYLYOOBLTAT-AWEZNQCLSA-N
MW336.44 g/mol
LogP0.84
Rot. Bonds7

About 6-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one

6-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one (PubChem CID 97028133) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name6-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one
PubChem CID97028133
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name6-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one
SMILESCCCn1nc(C(=O)N2CCN(CCOC)[C@@H](CC)C2)ccc1=O
InChIInChI=1S/C17H28N4O3/c1-4-8-21-16(22)7-6-15(18-21)17(23)20-10-9-19(11-12-24-3)14(5-2)13-20/h6-7,14H,4-5,8-13H2,1-3H3/t14-/m0/s1
InChIKeyVJOBYLYOOBLTAT-AWEZNQCLSA-N
XLogP0.84
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2R)-2-ethylmorpholine-4-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one
CID 94014405
6-[(2S)-2-ethylmorpholine-4-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one
CID 94014406
6-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one
CID 106672046
2-(2-methoxyethyl)-6-[(3S)-3-methylpiperidine-1-carbonyl]pyridazin-3-one
CID 94179531
6-(3-hydroxyazetidine-1-carbonyl)-2-propylpyridazin-3-one
CID 63106592
N,N-diethyl-4-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]piperazine-1-sulfonamide
CID 24630476
1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidine-3-carboxamide
CID 78784806
2-[1-(6-oxo-1-propylpyridazine-3-carbonyl)azetidin-3-yl]acetic acid
CID 64603756
[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone
CID 86966440
(5-amino-2-methylphenyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride
CID 120646440
[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-[5-(furan-2-yl)-1,3-oxazol-4-yl]methanone
CID 71875566
[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 86966453

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one?
The IUPAC name of 6-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one (CID 97028133) is 6-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one.
What is the SMILES notation for 6-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one?
The canonical SMILES for 6-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one is CCCn1nc(C(=O)N2CCN(CCOC)[C@@H](CC)C2)ccc1=O.
What is the InChIKey of 6-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one?
The InChIKey is VJOBYLYOOBLTAT-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-4-8-21-16(22)7-6-15(18-21)17(23)20-10-9-19(11-12-24-3)14(5-2)13-20/h6-7,14H,4-5,8-13H2,1-3H3/t14-/m0/s1.
What are the key properties of 6-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one?
6-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one has a molecular weight of 336.44 g/mol, XLogP of 0.84, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one is sourced from PubChem (CID 97028133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).