1-[3-[[6-(dimethylamino)pyridazin-3-yl]methyl]pyrrolidin-1-yl]ethanone

C13H20N4O — CID 110269226

IUPAC1-[3-[[6-(dimethylamino)pyridazin-3-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2ccc(N(C)C)nn2)C1
InChIInChI=1S/C13H20N4O/c1-10(18)17-7-6-11(9-17)8-12-4-5-13(15-14-12)16(2)3/h4-5,11H,6-9H2,1-3H3
InChIKeyYZPHIADERFPLKH-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.95
Rot. Bonds3

About 1-[3-[[6-(dimethylamino)pyridazin-3-yl]methyl]pyrrolidin-1-yl]ethanone

1-[3-[[6-(dimethylamino)pyridazin-3-yl]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 110269226) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[3-[[6-(dimethylamino)pyridazin-3-yl]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[[6-(dimethylamino)pyridazin-3-yl]methyl]pyrrolidin-1-yl]ethanone
PubChem CID110269226
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[3-[[6-(dimethylamino)pyridazin-3-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2ccc(N(C)C)nn2)C1
InChIInChI=1S/C13H20N4O/c1-10(18)17-7-6-11(9-17)8-12-4-5-13(15-14-12)16(2)3/h4-5,11H,6-9H2,1-3H3
InChIKeyYZPHIADERFPLKH-UHFFFAOYSA-N
XLogP0.95
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-6-[(1-methylpyrrolidin-3-yl)methyl]pyridazin-3-amine
CID 73440085
6-[[(3S)-1-acetylpiperidin-3-yl]methyl]-N,N-dimethylpyridazine-3-carboxamide
CID 95841001
6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazine-3-carboxylic acid
CID 95804599
6-[(1-acetylpiperidin-3-yl)methyl]pyridazine-3-carboxylic acid
CID 110246143
1-[4-[6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazin-3-yl]piperazin-1-yl]ethanone
CID 95846960
1-[4-[(6-chloropyridazin-3-yl)methyl]azepan-1-yl]ethanone
CID 66510068
1-[4-[(6-pyrimidin-5-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone
CID 95825591
6-[(1-acetylpiperidin-3-yl)methyl]-N-propan-2-ylpyridazine-3-carboxamide
CID 110271511
1-[3-[(6-chloropyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone
CID 167995722
6-[(1-acetylpiperidin-3-yl)methyl]-N-cyclopentylpyridazine-3-carboxamide
CID 110271581
1-[3-[(6-imidazol-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone
CID 110255801
1-[(3S)-3-[[6-(methylamino)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone
CID 95841407

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[6-(dimethylamino)pyridazin-3-yl]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-[[6-(dimethylamino)pyridazin-3-yl]methyl]pyrrolidin-1-yl]ethanone (CID 110269226) is 1-[3-[[6-(dimethylamino)pyridazin-3-yl]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[[6-(dimethylamino)pyridazin-3-yl]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[[6-(dimethylamino)pyridazin-3-yl]methyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(Cc2ccc(N(C)C)nn2)C1.
What is the InChIKey of 1-[3-[[6-(dimethylamino)pyridazin-3-yl]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is YZPHIADERFPLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10(18)17-7-6-11(9-17)8-12-4-5-13(15-14-12)16(2)3/h4-5,11H,6-9H2,1-3H3.
What are the key properties of 1-[3-[[6-(dimethylamino)pyridazin-3-yl]methyl]pyrrolidin-1-yl]ethanone?
1-[3-[[6-(dimethylamino)pyridazin-3-yl]methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 248.33 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[6-(dimethylamino)pyridazin-3-yl]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110269226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).