5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one

C13H19N3O3 — CID 115775106

IUPAC5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(C(=O)N2CCC(CCO)C2)c1C
InChIInChI=1S/C13H19N3O3/c1-8-9(2)14-15-12(18)11(8)13(19)16-5-3-10(7-16)4-6-17/h10,17H,3-7H2,1-2H3,(H,15,18)
InChIKeyLXZGNQYEBIGRSK-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.23
Rot. Bonds3

About 5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one

5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one (PubChem CID 115775106) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
PubChem CID115775106
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(C(=O)N2CCC(CCO)C2)c1C
InChIInChI=1S/C13H19N3O3/c1-8-9(2)14-15-12(18)11(8)13(19)16-5-3-10(7-16)4-6-17/h10,17H,3-7H2,1-2H3,(H,15,18)
InChIKeyLXZGNQYEBIGRSK-UHFFFAOYSA-N
XLogP0.23
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one
CID 114679803
5-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
CID 82016344
3,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 56820100
methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-4-carboxylate
CID 43431338
5-[(3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
CID 99818989
3,4-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one
CID 154857691
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115775260
5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 114799275
(3,6-dimethylpyridazin-4-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115877445
(4-amino-5-ethyl-1H-pyrazol-3-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796732
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2,3,4,5,6-pentamethylphenyl)methanone
CID 62370587
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 113268934

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one?
The IUPAC name of 5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one (CID 115775106) is 5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one?
The canonical SMILES for 5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one is Cc1n[nH]c(=O)c(C(=O)N2CCC(CCO)C2)c1C.
What is the InChIKey of 5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one?
The InChIKey is LXZGNQYEBIGRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-9(2)14-15-12(18)11(8)13(19)16-5-3-10(7-16)4-6-17/h10,17H,3-7H2,1-2H3,(H,15,18).
What are the key properties of 5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one?
5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one has a molecular weight of 265.31 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one is sourced from PubChem (CID 115775106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).