1-[(5-hydrazinylpyrazin-2-yl)methyl]-4-propan-2-ylpyrrolidin-2-one

C12H19N5O — CID 103061637

IUPAC1-[(5-hydrazinylpyrazin-2-yl)methyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CC(=O)N(Cc2cnc(NN)cn2)C1
InChIInChI=1S/C12H19N5O/c1-8(2)9-3-12(18)17(6-9)7-10-4-15-11(16-13)5-14-10/h4-5,8-9H,3,6-7,13H2,1-2H3,(H,15,16)
InChIKeyNUWBQBHWBGUVDK-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.77
Rot. Bonds4

About 1-[(5-hydrazinylpyrazin-2-yl)methyl]-4-propan-2-ylpyrrolidin-2-one

1-[(5-hydrazinylpyrazin-2-yl)methyl]-4-propan-2-ylpyrrolidin-2-one (PubChem CID 103061637) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-[(5-hydrazinylpyrazin-2-yl)methyl]-4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(5-hydrazinylpyrazin-2-yl)methyl]-4-propan-2-ylpyrrolidin-2-one
PubChem CID103061637
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name1-[(5-hydrazinylpyrazin-2-yl)methyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CC(=O)N(Cc2cnc(NN)cn2)C1
InChIInChI=1S/C12H19N5O/c1-8(2)9-3-12(18)17(6-9)7-10-4-15-11(16-13)5-14-10/h4-5,8-9H,3,6-7,13H2,1-2H3,(H,15,16)
InChIKeyNUWBQBHWBGUVDK-UHFFFAOYSA-N
XLogP0.77
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(5-hydrazinylpyrazin-2-yl)methyl]-4-propan-2-ylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(6-hydrazinyl-2-pyridinyl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512787
[5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyrazin-2-yl]hydrazine
CID 103502422
1-[(5-hydrazinylpyrazin-2-yl)methyl]-4-methylpiperazine-2,3-dione
CID 103061454
1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512703
1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512790
3-[(5-hydrazinylpyrazin-2-yl)methyl]imidazolidine-2,4-dione
CID 103061297
4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 104511155
1-ethyl-4-propan-2-ylpyrrolidin-2-one
CID 122470396
1-[(4-chlorophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 23588935
N-methyl-5-[(4-propan-2-ylazepan-1-yl)methyl]pyrazin-2-amine
CID 103056527
1-[[4-(hydroxymethyl)phenyl]methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512318
[5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]pyrazin-2-yl]hydrazine
CID 103061242

Frequently Asked Questions

What is the IUPAC name of 1-[(5-hydrazinylpyrazin-2-yl)methyl]-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-[(5-hydrazinylpyrazin-2-yl)methyl]-4-propan-2-ylpyrrolidin-2-one (CID 103061637) is 1-[(5-hydrazinylpyrazin-2-yl)methyl]-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-[(5-hydrazinylpyrazin-2-yl)methyl]-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-[(5-hydrazinylpyrazin-2-yl)methyl]-4-propan-2-ylpyrrolidin-2-one is CC(C)C1CC(=O)N(Cc2cnc(NN)cn2)C1.
What is the InChIKey of 1-[(5-hydrazinylpyrazin-2-yl)methyl]-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is NUWBQBHWBGUVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-8(2)9-3-12(18)17(6-9)7-10-4-15-11(16-13)5-14-10/h4-5,8-9H,3,6-7,13H2,1-2H3,(H,15,16).
What are the key properties of 1-[(5-hydrazinylpyrazin-2-yl)methyl]-4-propan-2-ylpyrrolidin-2-one?
1-[(5-hydrazinylpyrazin-2-yl)methyl]-4-propan-2-ylpyrrolidin-2-one has a molecular weight of 249.32 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-hydrazinylpyrazin-2-yl)methyl]-4-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 103061637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).