(3,4-dihydroxypyrrolidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone

C9H13N5O3 — CID 107378752

IUPAC(3,4-dihydroxypyrrolidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone
SMILESNNc1cnc(C(=O)N2CC(O)C(O)C2)cn1
InChIInChI=1S/C9H13N5O3/c10-13-8-2-11-5(1-12-8)9(17)14-3-6(15)7(16)4-14/h1-2,6-7,15-16H,3-4,10H2,(H,12,13)
InChIKeyPLMOXPJKHSLTDS-UHFFFAOYSA-N
MW239.24 g/mol
LogP-2.06
Rot. Bonds2

About (3,4-dihydroxypyrrolidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone

(3,4-dihydroxypyrrolidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone (PubChem CID 107378752) has the molecular formula C9H13N5O3 and a molecular weight of 239.24 g/mol. Its IUPAC name is (3,4-dihydroxypyrrolidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name(3,4-dihydroxypyrrolidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone
PubChem CID107378752
Molecular FormulaC9H13N5O3
Molecular Weight239.24 g/mol
Exact Mass239.10
IUPAC Name(3,4-dihydroxypyrrolidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone
SMILESNNc1cnc(C(=O)N2CC(O)C(O)C2)cn1
InChIInChI=1S/C9H13N5O3/c10-13-8-2-11-5(1-12-8)9(17)14-3-6(15)7(16)4-14/h1-2,6-7,15-16H,3-4,10H2,(H,12,13)
InChIKeyPLMOXPJKHSLTDS-UHFFFAOYSA-N
XLogP-2.06
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 5-2.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

(3,4-dihydroxypyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107377330
[3-(dimethylamino)pyrrolidin-1-yl]-(5-hydrazinylpyrazin-2-yl)methanone
CID 107378243
(5-hydrazinylpyrazin-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 107378293
(3-ethylpiperidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone
CID 107378136
(3,4-dimethoxypyrrolidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone
CID 107377317
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-hydrazinylpyrazin-2-yl)methanone
CID 107377709
(5-hydrazinylpyrazin-2-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 107378449
5-hydrazinyl-N,N-bis(2-hydroxyethyl)pyrazine-2-carboxamide
CID 107377624
(2-ethylpiperidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone
CID 107378063
(3,4-dihydroxypyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone
CID 106774564
(5-hydrazinylpyrazin-2-yl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107377422
N-ethyl-5-hydrazinyl-N-propylpyrazine-2-carboxamide
CID 107378064

Frequently Asked Questions

What is the IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone?
The IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone (CID 107378752) is (3,4-dihydroxypyrrolidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone.
What is the SMILES notation for (3,4-dihydroxypyrrolidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone?
The canonical SMILES for (3,4-dihydroxypyrrolidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone is NNc1cnc(C(=O)N2CC(O)C(O)C2)cn1.
What is the InChIKey of (3,4-dihydroxypyrrolidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone?
The InChIKey is PLMOXPJKHSLTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3/c10-13-8-2-11-5(1-12-8)9(17)14-3-6(15)7(16)4-14/h1-2,6-7,15-16H,3-4,10H2,(H,12,13).
What are the key properties of (3,4-dihydroxypyrrolidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone?
(3,4-dihydroxypyrrolidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone has a molecular weight of 239.24 g/mol, XLogP of -2.06, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dihydroxypyrrolidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone is sourced from PubChem (CID 107378752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).