(5-hydrazinylpyrazin-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C12H17N5O2 — CID 107378293

IUPAC(5-hydrazinylpyrazin-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESNNc1cnc(C(=O)N2C3CCC2CC(O)C3)cn1
InChIInChI=1S/C12H17N5O2/c13-16-11-6-14-10(5-15-11)12(19)17-7-1-2-8(17)4-9(18)3-7/h5-9,18H,1-4,13H2,(H,15,16)
InChIKeyHIOMYBGRXJLROB-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.11
Rot. Bonds2

About (5-hydrazinylpyrazin-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

(5-hydrazinylpyrazin-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 107378293) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is (5-hydrazinylpyrazin-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(5-hydrazinylpyrazin-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID107378293
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name(5-hydrazinylpyrazin-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESNNc1cnc(C(=O)N2C3CCC2CC(O)C3)cn1
InChIInChI=1S/C12H17N5O2/c13-16-11-6-14-10(5-15-11)12(19)17-7-1-2-8(17)4-9(18)3-7/h5-9,18H,1-4,13H2,(H,15,16)
InChIKeyHIOMYBGRXJLROB-UHFFFAOYSA-N
XLogP-0.11
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (5-hydrazinylpyrazin-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 107378293) is (5-hydrazinylpyrazin-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (5-hydrazinylpyrazin-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (5-hydrazinylpyrazin-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is NNc1cnc(C(=O)N2C3CCC2CC(O)C3)cn1.
What is the InChIKey of (5-hydrazinylpyrazin-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is HIOMYBGRXJLROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c13-16-11-6-14-10(5-15-11)12(19)17-7-1-2-8(17)4-9(18)3-7/h5-9,18H,1-4,13H2,(H,15,16).
What are the key properties of (5-hydrazinylpyrazin-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
(5-hydrazinylpyrazin-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 263.30 g/mol, XLogP of -0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydrazinylpyrazin-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 107378293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).