3-(3,4-dimethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one

C11H15N3O2 — CID 103709631

IUPAC3-(3,4-dimethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one
SMILESCC1CN(C(=O)c2ccc(=O)[nH]n2)CC1C
InChIInChI=1S/C11H15N3O2/c1-7-5-14(6-8(7)2)11(16)9-3-4-10(15)13-12-9/h3-4,7-8H,5-6H2,1-2H3,(H,13,15)
InChIKeyRZHOLZYODZQEFU-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.50
Rot. Bonds1

About 3-(3,4-dimethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one

3-(3,4-dimethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one (PubChem CID 103709631) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-(3,4-dimethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3,4-dimethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one
PubChem CID103709631
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-(3,4-dimethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one
SMILESCC1CN(C(=O)c2ccc(=O)[nH]n2)CC1C
InChIInChI=1S/C11H15N3O2/c1-7-5-14(6-8(7)2)11(16)9-3-4-10(15)13-12-9/h3-4,7-8H,5-6H2,1-2H3,(H,13,15)
InChIKeyRZHOLZYODZQEFU-UHFFFAOYSA-N
XLogP0.50
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 5227998
3-(3-methyl-4-oxopiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 102979094
3-[(2R,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyridazin-6-one
CID 94823289
3-[4-(dimethylamino)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 110483200
3-[(5aS,8aS)-4-methyl-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepine-7-carbonyl]-1H-pyridazin-6-one
CID 131691221
3-(4-propylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 103720325
methyl 1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-3-carboxylate
CID 78919715
3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110803019
(5-tert-butyl-1H-pyrazol-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 166216883
3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 114267658
4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 110812163
3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 38390180

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(3,4-dimethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one (CID 103709631) is 3-(3,4-dimethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3,4-dimethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(3,4-dimethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one is CC1CN(C(=O)c2ccc(=O)[nH]n2)CC1C.
What is the InChIKey of 3-(3,4-dimethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one?
The InChIKey is RZHOLZYODZQEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-5-14(6-8(7)2)11(16)9-3-4-10(15)13-12-9/h3-4,7-8H,5-6H2,1-2H3,(H,13,15).
What are the key properties of 3-(3,4-dimethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one?
3-(3,4-dimethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one has a molecular weight of 221.26 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one is sourced from PubChem (CID 103709631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).