6-methyl-2-pyrrolidin-3-ylpyridazin-3-one

C9H13N3O — CID 82105255

IUPAC6-methyl-2-pyrrolidin-3-ylpyridazin-3-one
SMILESCc1ccc(=O)n(C2CCNC2)n1
InChIInChI=1S/C9H13N3O/c1-7-2-3-9(13)12(11-7)8-4-5-10-6-8/h2-3,8,10H,4-6H2,1H3
InChIKeyXMMQFRDXNLFCRO-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.09
Rot. Bonds1

About 6-methyl-2-pyrrolidin-3-ylpyridazin-3-one

6-methyl-2-pyrrolidin-3-ylpyridazin-3-one (PubChem CID 82105255) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 6-methyl-2-pyrrolidin-3-ylpyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-pyrrolidin-3-ylpyridazin-3-one
PubChem CID82105255
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name6-methyl-2-pyrrolidin-3-ylpyridazin-3-one
SMILESCc1ccc(=O)n(C2CCNC2)n1
InChIInChI=1S/C9H13N3O/c1-7-2-3-9(13)12(11-7)8-4-5-10-6-8/h2-3,8,10H,4-6H2,1H3
InChIKeyXMMQFRDXNLFCRO-UHFFFAOYSA-N
XLogP0.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-isopropyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443181
N-cyclopentyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 9168301
2-(4-Aminobutan-2-yl)-6-(trifluoromethyl)-2,3-dihydropyridazin-3-one
CID 122239440
2-[(2S)-4-aminobutan-2-yl]-6-(trifluoromethyl)pyridazin-3-one
CID 129531925
2-[(2R)-4-aminobutan-2-yl]-6-(trifluoromethyl)pyridazin-3-one
CID 129531926
2-(2-aminoethyl)-6-methylpyridazin-3(2H)-one
CID 13103485
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 71789177
N-(sec-butyl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 44012300
N-ethyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 60636499
6-Methyl-2-(piperidin-2-ylmethyl)pyridazin-3-one
CID 62922517
N,1-diethyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 121066863
2-(3-Aminopropyl)-6-methyl-2,3-dihydropyridazin-3-one
CID 13103486

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-pyrrolidin-3-ylpyridazin-3-one?
The IUPAC name of 6-methyl-2-pyrrolidin-3-ylpyridazin-3-one (CID 82105255) is 6-methyl-2-pyrrolidin-3-ylpyridazin-3-one.
What is the SMILES notation for 6-methyl-2-pyrrolidin-3-ylpyridazin-3-one?
The canonical SMILES for 6-methyl-2-pyrrolidin-3-ylpyridazin-3-one is Cc1ccc(=O)n(C2CCNC2)n1.
What is the InChIKey of 6-methyl-2-pyrrolidin-3-ylpyridazin-3-one?
The InChIKey is XMMQFRDXNLFCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7-2-3-9(13)12(11-7)8-4-5-10-6-8/h2-3,8,10H,4-6H2,1H3.
What are the key properties of 6-methyl-2-pyrrolidin-3-ylpyridazin-3-one?
6-methyl-2-pyrrolidin-3-ylpyridazin-3-one has a molecular weight of 179.22 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-pyrrolidin-3-ylpyridazin-3-one is sourced from PubChem (CID 82105255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).