(5-hydrazinylpyrazin-2-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone

C12H19N5O — CID 107378449

IUPAC(5-hydrazinylpyrazin-2-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCC(C)C1CCCN1C(=O)c1cnc(NN)cn1
InChIInChI=1S/C12H19N5O/c1-8(2)10-4-3-5-17(10)12(18)9-6-15-11(16-13)7-14-9/h6-8,10H,3-5,13H2,1-2H3,(H,15,16)
InChIKeyABBBGFUTAZMVGZ-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.02
Rot. Bonds3

About (5-hydrazinylpyrazin-2-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone

(5-hydrazinylpyrazin-2-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone (PubChem CID 107378449) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is (5-hydrazinylpyrazin-2-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-hydrazinylpyrazin-2-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
PubChem CID107378449
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name(5-hydrazinylpyrazin-2-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCC(C)C1CCCN1C(=O)c1cnc(NN)cn1
InChIInChI=1S/C12H19N5O/c1-8(2)10-4-3-5-17(10)12(18)9-6-15-11(16-13)7-14-9/h6-8,10H,3-5,13H2,1-2H3,(H,15,16)
InChIKeyABBBGFUTAZMVGZ-UHFFFAOYSA-N
XLogP1.02
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.02
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'}

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Frequently Asked Questions

What is the IUPAC name of (5-hydrazinylpyrazin-2-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-hydrazinylpyrazin-2-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone (CID 107378449) is (5-hydrazinylpyrazin-2-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-hydrazinylpyrazin-2-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-hydrazinylpyrazin-2-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone is CC(C)C1CCCN1C(=O)c1cnc(NN)cn1.
What is the InChIKey of (5-hydrazinylpyrazin-2-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is ABBBGFUTAZMVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-8(2)10-4-3-5-17(10)12(18)9-6-15-11(16-13)7-14-9/h6-8,10H,3-5,13H2,1-2H3,(H,15,16).
What are the key properties of (5-hydrazinylpyrazin-2-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone?
(5-hydrazinylpyrazin-2-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 249.32 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydrazinylpyrazin-2-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 107378449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).