methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)pyrrolidine-2-carboxylate

C13H17N3O4 — CID 43623810

IUPACmethyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1c(C)c(C)n[nH]c1=O
InChIInChI=1S/C13H17N3O4/c1-7-8(2)14-15-11(17)10(7)12(18)16-6-4-5-9(16)13(19)20-3/h9H,4-6H2,1-3H3,(H,15,17)
InChIKeyNJSGHEAVJIMJBH-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.16
Rot. Bonds2

About methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)pyrrolidine-2-carboxylate

methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 43623810) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)pyrrolidine-2-carboxylate
PubChem CID43623810
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Namemethyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1c(C)c(C)n[nH]c1=O
InChIInChI=1S/C13H17N3O4/c1-7-8(2)14-15-11(17)10(7)12(18)16-6-4-5-9(16)13(19)20-3/h9H,4-6H2,1-3H3,(H,15,17)
InChIKeyNJSGHEAVJIMJBH-UHFFFAOYSA-N
XLogP0.16
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-2-carboxylate
CID 115535693
methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-4-carboxylate
CID 43431338
methyl 1-(1,3,5-trimethylpyrazole-4-carbonyl)piperidine-2-carboxylate
CID 115535701
methyl 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylate
CID 115280024
methyl 1-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxylate
CID 43623812
methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylate
CID 43410192
methyl 1-(5-amino-2H-triazole-4-carbonyl)pyrrolidine-2-carboxylate
CID 110484841
5-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
CID 95350716
1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741888
5-[(3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
CID 99818989
methyl 1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carboxylate
CID 64539500
methyl 1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylate
CID 115280207

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)pyrrolidine-2-carboxylate (CID 43623810) is methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)c1c(C)c(C)n[nH]c1=O.
What is the InChIKey of methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is NJSGHEAVJIMJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-7-8(2)14-15-11(17)10(7)12(18)16-6-4-5-9(16)13(19)20-3/h9H,4-6H2,1-3H3,(H,15,17).
What are the key properties of methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)pyrrolidine-2-carboxylate?
methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 279.30 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 43623810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).