3-(cyclopropylamino)-1-(pyridazin-3-ylmethyl)pyrrolidin-2-one

C12H16N4O — CID 106897857

IUPAC3-(cyclopropylamino)-1-(pyridazin-3-ylmethyl)pyrrolidin-2-one
SMILESO=C1C(NC2CC2)CCN1Cc1cccnn1
InChIInChI=1S/C12H16N4O/c17-12-11(14-9-3-4-9)5-7-16(12)8-10-2-1-6-13-15-10/h1-2,6,9,11,14H,3-5,7-8H2
InChIKeyQNXPKJGXHAMQDG-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.33
Rot. Bonds4

About 3-(cyclopropylamino)-1-(pyridazin-3-ylmethyl)pyrrolidin-2-one

3-(cyclopropylamino)-1-(pyridazin-3-ylmethyl)pyrrolidin-2-one (PubChem CID 106897857) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-(pyridazin-3-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-(pyridazin-3-ylmethyl)pyrrolidin-2-one
PubChem CID106897857
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-(cyclopropylamino)-1-(pyridazin-3-ylmethyl)pyrrolidin-2-one
SMILESO=C1C(NC2CC2)CCN1Cc1cccnn1
InChIInChI=1S/C12H16N4O/c17-12-11(14-9-3-4-9)5-7-16(12)8-10-2-1-6-13-15-10/h1-2,6,9,11,14H,3-5,7-8H2
InChIKeyQNXPKJGXHAMQDG-UHFFFAOYSA-N
XLogP0.33
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylamino)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one
CID 82874672
3-cyclopropyl-1-(pyridazin-3-ylmethyl)-1,4-diazepane-2,5-dione
CID 106897973
3-(cyclopropylamino)-1-[(3-ethyl-2-pyridinyl)methyl]piperidin-2-one
CID 82754849
3-(cyclopropylamino)-1-[2-(triazol-1-yl)ethyl]pyrrolidin-2-one
CID 113413278
3-(2-methylpropyl)-1-(pyridazin-3-ylmethyl)-1,4-diazepane-2,5-dione
CID 106898021
3-cyclopropyl-1-(pyridazin-3-ylmethyl)piperazine-2,5-dione
CID 106897976
3-tert-butyl-1-(pyridazin-3-ylmethyl)piperazine-2,5-dione
CID 106897997
3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
CID 79238622
N-ethyl-2-methyl-1-(pyridazin-3-ylmethyl)piperidin-4-amine
CID 106896358
3-(cyclopropylamino)-1-[2-(oxan-2-yl)ethyl]pyrrolidin-2-one
CID 114136071
1-[(6-methyl-2-pyridinyl)methyl]-3-(propylamino)pyrrolidin-2-one
CID 62308222
5-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one
CID 20590041

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-(pyridazin-3-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 3-(cyclopropylamino)-1-(pyridazin-3-ylmethyl)pyrrolidin-2-one (CID 106897857) is 3-(cyclopropylamino)-1-(pyridazin-3-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-(pyridazin-3-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 3-(cyclopropylamino)-1-(pyridazin-3-ylmethyl)pyrrolidin-2-one is O=C1C(NC2CC2)CCN1Cc1cccnn1.
What is the InChIKey of 3-(cyclopropylamino)-1-(pyridazin-3-ylmethyl)pyrrolidin-2-one?
The InChIKey is QNXPKJGXHAMQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c17-12-11(14-9-3-4-9)5-7-16(12)8-10-2-1-6-13-15-10/h1-2,6,9,11,14H,3-5,7-8H2.
What are the key properties of 3-(cyclopropylamino)-1-(pyridazin-3-ylmethyl)pyrrolidin-2-one?
3-(cyclopropylamino)-1-(pyridazin-3-ylmethyl)pyrrolidin-2-one has a molecular weight of 232.29 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-(pyridazin-3-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 106897857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).