2-(pyridazin-3-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one

C12H18N4O — CID 106832007

IUPAC2-(pyridazin-3-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(NCc1cccnn1)C(=O)N1CCCC1
InChIInChI=1S/C12H18N4O/c1-10(12(17)16-7-2-3-8-16)13-9-11-5-4-6-14-15-11/h4-6,10,13H,2-3,7-9H2,1H3
InChIKeyHCQOFEAJCQTFOT-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.58
Rot. Bonds4

About 2-(pyridazin-3-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one

2-(pyridazin-3-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 106832007) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(pyridazin-3-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(pyridazin-3-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID106832007
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-(pyridazin-3-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(NCc1cccnn1)C(=O)N1CCCC1
InChIInChI=1S/C12H18N4O/c1-10(12(17)16-7-2-3-8-16)13-9-11-5-4-6-14-15-11/h4-6,10,13H,2-3,7-9H2,1H3
InChIKeyHCQOFEAJCQTFOT-UHFFFAOYSA-N
XLogP0.58
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-1-yl-2-(pyrazin-2-ylmethylamino)propan-1-one
CID 62761838
2-[(5-hydroxy-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 113384058
2-(2-pyridin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083640
2-[(2-ethylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 62392311
2-(1,2-oxazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 106417708
1-pyrrolidin-1-yl-2-(quinolin-4-ylmethylamino)propan-1-one
CID 115619137
1-(azepan-1-yl)-2-[(2-chlorophenyl)methylamino]propan-1-one
CID 43087131
2-[(6-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 62997460
2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115762300
2-(furan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 43083284
2-[(3-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115615288
2-[(2-chloro-6-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115625678

Frequently Asked Questions

What is the IUPAC name of 2-(pyridazin-3-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(pyridazin-3-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one (CID 106832007) is 2-(pyridazin-3-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(pyridazin-3-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(pyridazin-3-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one is CC(NCc1cccnn1)C(=O)N1CCCC1.
What is the InChIKey of 2-(pyridazin-3-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is HCQOFEAJCQTFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-10(12(17)16-7-2-3-8-16)13-9-11-5-4-6-14-15-11/h4-6,10,13H,2-3,7-9H2,1H3.
What are the key properties of 2-(pyridazin-3-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one?
2-(pyridazin-3-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 234.30 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridazin-3-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 106832007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).