3-(pyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one

C9H13N3O2 — CID 43397830

IUPAC3-(pyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(C(=O)N2CCCC2)=NN1
InChIInChI=1S/C9H13N3O2/c13-8-4-3-7(10-11-8)9(14)12-5-1-2-6-12/h1-6H2,(H,11,13)
InChIKeyFRWHWBFFHJEQKI-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.13
Rot. Bonds1

About 3-(pyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one

3-(pyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 43397830) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(pyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(pyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID43397830
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-(pyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(C(=O)N2CCCC2)=NN1
InChIInChI=1S/C9H13N3O2/c13-8-4-3-7(10-11-8)9(14)12-5-1-2-6-12/h1-6H2,(H,11,13)
InChIKeyFRWHWBFFHJEQKI-UHFFFAOYSA-N
XLogP-0.13
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,4-thiazepane-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 60775995
3-(4-hydroxy-4-methylazepane-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 107406289
3-(4-butanoyl-1,4-diazepane-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 110805956
1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidine-3-carboxamide
CID 43397906
3-(4-tert-butylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 61245068
3-(4-ethylsulfonyl-1,4-diazepane-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 110810034
3-[4-(hydroxymethyl)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 43582931
3-(3-hydroxyazetidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 63106781
3-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110802367
4-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidine-4-carboxylic acid
CID 63123691
3-[3-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 60655820
3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 4825839

Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(pyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one (CID 43397830) is 3-(pyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(pyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(pyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(C(=O)N2CCCC2)=NN1.
What is the InChIKey of 3-(pyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is FRWHWBFFHJEQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-8-4-3-7(10-11-8)9(14)12-5-1-2-6-12/h1-6H2,(H,11,13).
What are the key properties of 3-(pyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
3-(pyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 195.22 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 43397830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).