[(3S)-3-fluoropyrrolidin-1-yl]-(6-hydrazinylpyrazin-2-yl)methanone

C9H12FN5O — CID 142587498

IUPAC[(3S)-3-fluoropyrrolidin-1-yl]-(6-hydrazinylpyrazin-2-yl)methanone
SMILESNNc1cncc(C(=O)N2CC[C@H](F)C2)n1
InChIInChI=1S/C9H12FN5O/c10-6-1-2-15(5-6)9(16)7-3-12-4-8(13-7)14-11/h3-4,6H,1-2,5,11H2,(H,13,14)/t6-/m0/s1
InChIKeyYVPFATSETXLWQW-LURJTMIESA-N
MW225.23 g/mol
LogP-0.05
Rot. Bonds2

About [(3S)-3-fluoropyrrolidin-1-yl]-(6-hydrazinylpyrazin-2-yl)methanone

[(3S)-3-fluoropyrrolidin-1-yl]-(6-hydrazinylpyrazin-2-yl)methanone (PubChem CID 142587498) has the molecular formula C9H12FN5O and a molecular weight of 225.23 g/mol. Its IUPAC name is [(3S)-3-fluoropyrrolidin-1-yl]-(6-hydrazinylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-fluoropyrrolidin-1-yl]-(6-hydrazinylpyrazin-2-yl)methanone
PubChem CID142587498
Molecular FormulaC9H12FN5O
Molecular Weight225.23 g/mol
Exact Mass225.10
IUPAC Name[(3S)-3-fluoropyrrolidin-1-yl]-(6-hydrazinylpyrazin-2-yl)methanone
SMILESNNc1cncc(C(=O)N2CC[C@H](F)C2)n1
InChIInChI=1S/C9H12FN5O/c10-6-1-2-15(5-6)9(16)7-3-12-4-8(13-7)14-11/h3-4,6H,1-2,5,11H2,(H,13,14)/t6-/m0/s1
InChIKeyYVPFATSETXLWQW-LURJTMIESA-N
XLogP-0.05
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 5-0.05
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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Related Compounds

(3-fluoropyrrolidin-1-yl)-(6-hydrazinylpyrazin-2-yl)methanone
CID 166894365
(6-hydrazinylpyrazin-2-yl)-(2-propylpiperidin-1-yl)methanone
CID 114036334
(4,4-dimethylpiperidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone
CID 114035906
3-fluoropyrrolidine-1-carbohydrazide
CID 155317183
(6-hydrazinyl-2-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102971064
(3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71644274
(6-aminopyrazin-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 114036117
[(3S)-3-fluoropyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 139021652
[3-(dimethylamino)pyrrolidin-1-yl]-(5-hydrazinylpyrazin-2-yl)methanone
CID 107378243
(6-hydrazinyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62237527
N-[1-(6-chloropyrazine-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 106550944
[5-bromo-2-(propan-2-ylamino)pyrimidin-4-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone
CID 138017161

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-fluoropyrrolidin-1-yl]-(6-hydrazinylpyrazin-2-yl)methanone?
The IUPAC name of [(3S)-3-fluoropyrrolidin-1-yl]-(6-hydrazinylpyrazin-2-yl)methanone (CID 142587498) is [(3S)-3-fluoropyrrolidin-1-yl]-(6-hydrazinylpyrazin-2-yl)methanone.
What is the SMILES notation for [(3S)-3-fluoropyrrolidin-1-yl]-(6-hydrazinylpyrazin-2-yl)methanone?
The canonical SMILES for [(3S)-3-fluoropyrrolidin-1-yl]-(6-hydrazinylpyrazin-2-yl)methanone is NNc1cncc(C(=O)N2CC[C@H](F)C2)n1.
What is the InChIKey of [(3S)-3-fluoropyrrolidin-1-yl]-(6-hydrazinylpyrazin-2-yl)methanone?
The InChIKey is YVPFATSETXLWQW-LURJTMIESA-N. The full InChI is InChI=1S/C9H12FN5O/c10-6-1-2-15(5-6)9(16)7-3-12-4-8(13-7)14-11/h3-4,6H,1-2,5,11H2,(H,13,14)/t6-/m0/s1.
What are the key properties of [(3S)-3-fluoropyrrolidin-1-yl]-(6-hydrazinylpyrazin-2-yl)methanone?
[(3S)-3-fluoropyrrolidin-1-yl]-(6-hydrazinylpyrazin-2-yl)methanone has a molecular weight of 225.23 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-fluoropyrrolidin-1-yl]-(6-hydrazinylpyrazin-2-yl)methanone is sourced from PubChem (CID 142587498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).