4-ethyl-N-hydroperoxy-3,5-dihydro-2H-pyrazin-6-amine

C6H13N3O2 — CID 89020672

IUPAC4-ethyl-N-hydroperoxy-3,5-dihydro-2H-pyrazin-6-amine
SMILESCCN1CCN=C(NOO)C1
InChIInChI=1S/C6H13N3O2/c1-2-9-4-3-7-6(5-9)8-11-10/h10H,2-5H2,1H3,(H,7,8)
InChIKeyLJRGXRGGRQBZIQ-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.29
Rot. Bonds2

About 4-ethyl-N-hydroperoxy-3,5-dihydro-2H-pyrazin-6-amine

4-ethyl-N-hydroperoxy-3,5-dihydro-2H-pyrazin-6-amine (PubChem CID 89020672) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is 4-ethyl-N-hydroperoxy-3,5-dihydro-2H-pyrazin-6-amine.

Molecular Properties

Compound Name4-ethyl-N-hydroperoxy-3,5-dihydro-2H-pyrazin-6-amine
PubChem CID89020672
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name4-ethyl-N-hydroperoxy-3,5-dihydro-2H-pyrazin-6-amine
SMILESCCN1CCN=C(NOO)C1
InChIInChI=1S/C6H13N3O2/c1-2-9-4-3-7-6(5-9)8-11-10/h10H,2-5H2,1H3,(H,7,8)
InChIKeyLJRGXRGGRQBZIQ-UHFFFAOYSA-N
XLogP-0.29
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-hydroperoxy-3,5-dihydro-2H-pyrazin-6-amine?
The IUPAC name of 4-ethyl-N-hydroperoxy-3,5-dihydro-2H-pyrazin-6-amine (CID 89020672) is 4-ethyl-N-hydroperoxy-3,5-dihydro-2H-pyrazin-6-amine.
What is the SMILES notation for 4-ethyl-N-hydroperoxy-3,5-dihydro-2H-pyrazin-6-amine?
The canonical SMILES for 4-ethyl-N-hydroperoxy-3,5-dihydro-2H-pyrazin-6-amine is CCN1CCN=C(NOO)C1.
What is the InChIKey of 4-ethyl-N-hydroperoxy-3,5-dihydro-2H-pyrazin-6-amine?
The InChIKey is LJRGXRGGRQBZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-2-9-4-3-7-6(5-9)8-11-10/h10H,2-5H2,1H3,(H,7,8).
What are the key properties of 4-ethyl-N-hydroperoxy-3,5-dihydro-2H-pyrazin-6-amine?
4-ethyl-N-hydroperoxy-3,5-dihydro-2H-pyrazin-6-amine has a molecular weight of 159.19 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-hydroperoxy-3,5-dihydro-2H-pyrazin-6-amine is sourced from PubChem (CID 89020672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).