6-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one

C12H17N3O5 — CID 106672046

IUPAC6-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1nc(C(=O)N2CC(O)C(O)C2)ccc1=O
InChIInChI=1S/C12H17N3O5/c1-20-5-4-15-11(18)3-2-8(13-15)12(19)14-6-9(16)10(17)7-14/h2-3,9-10,16-17H,4-7H2,1H3
InChIKeyIGSOVBDTMTXNJD-UHFFFAOYSA-N
MW283.28 g/mol
LogP-1.93
Rot. Bonds4

About 6-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one

6-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one (PubChem CID 106672046) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 6-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one
PubChem CID106672046
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name6-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1nc(C(=O)N2CC(O)C(O)C2)ccc1=O
InChIInChI=1S/C12H17N3O5/c1-20-5-4-15-11(18)3-2-8(13-15)12(19)14-6-9(16)10(17)7-14/h2-3,9-10,16-17H,4-7H2,1H3
InChIKeyIGSOVBDTMTXNJD-UHFFFAOYSA-N
XLogP-1.93
TPSA104.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-1.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methoxyethyl)-6-[(3S)-3-methylpiperidine-1-carbonyl]pyridazin-3-one
CID 94179531
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-hydroxyazetidine-1-carbonyl)-2-propylpyridazin-3-one
CID 63106592
6-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one
CID 97028133
2-(2-methoxyethyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 47020029
N,N-diethyl-4-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]piperazine-1-sulfonamide
CID 24630476
(4R)-3-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 61145277
N-[(2R)-2-hydroxypropyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 83031566
2-[1-(6-oxo-1-propylpyridazine-3-carbonyl)azetidin-3-yl]acetic acid
CID 64603756
N-[(2R)-1-hydroxypropan-2-yl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 79027672
methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate
CID 47120194

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one?
The IUPAC name of 6-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one (CID 106672046) is 6-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one.
What is the SMILES notation for 6-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one?
The canonical SMILES for 6-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one is COCCn1nc(C(=O)N2CC(O)C(O)C2)ccc1=O.
What is the InChIKey of 6-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one?
The InChIKey is IGSOVBDTMTXNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-20-5-4-15-11(18)3-2-8(13-15)12(19)14-6-9(16)10(17)7-14/h2-3,9-10,16-17H,4-7H2,1H3.
What are the key properties of 6-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one?
6-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one has a molecular weight of 283.28 g/mol, XLogP of -1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one is sourced from PubChem (CID 106672046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).