[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrazin-2-amine;6-chloropyrazin-2-amine

C28H32BClN10O2 — CID 158572098

About [6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrazin-2-amine;6-chloropyrazin-2-amine

[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrazin-2-amine;6-chloropyrazin-2-amine (PubChem CID 158572098) has the molecular formula C28H32BClN10O2 and a molecular weight of 586.90 g/mol. Its IUPAC name is [6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrazin-2-amine;6-chloropyrazin-2-amine.

Molecular Properties

• Compound Name: [6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrazin-2-amine;6-chloropyrazin-2-amine
• PubChem CID: 158572098
• Molecular Formula: C28H32BClN10O2
• Molecular Weight: 586.90 g/mol
• Exact Mass: 586.25
• IUPAC Name: [6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrazin-2-amine;6-chloropyrazin-2-amine
• SMILES: Nc1cncc(-c2ccc(N3CC4CC4C3)nc2)n1.Nc1cncc(Cl)n1.OB(O)c1ccc(N2CC3CC3C2)nc1
• InChI: InChI=1S/C14H15N5.C10H13BN2O2.C4H4ClN3/c15-13-6-16-5-12(18-13)9-1-2-14(17-4-9)19-7-10-3-11(10)8-19;14-11(15)9-1-2-10(12-4-9)13-5-7-3-8(7)6-13;5-3-1-7-2-4(6)8-3/h1-2,4-6,10-11H,3,7-8H2,(H2,15,18);1-2,4,7-8,14-15H,3,5-6H2;1-2H,(H2,6,8)
• InChIKey: HSEZERDTGIOEOU-UHFFFAOYSA-N
• XLogP: 1.51
• TPSA: 176.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.90
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrazin-2-amine;6-chloropyrazin-2-amine?

The IUPAC name of [6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrazin-2-amine;6-chloropyrazin-2-amine (CID 158572098) is [6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrazin-2-amine;6-chloropyrazin-2-amine.

What is the SMILES notation for [6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrazin-2-amine;6-chloropyrazin-2-amine?

The canonical SMILES for [6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrazin-2-amine;6-chloropyrazin-2-amine is Nc1cncc(-c2ccc(N3CC4CC4C3)nc2)n1.Nc1cncc(Cl)n1.OB(O)c1ccc(N2CC3CC3C2)nc1.

What is the InChIKey of [6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrazin-2-amine;6-chloropyrazin-2-amine?

The InChIKey is HSEZERDTGIOEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5.C10H13BN2O2.C4H4ClN3/c15-13-6-16-5-12(18-13)9-1-2-14(17-4-9)19-7-10-3-11(10)8-19;14-11(15)9-1-2-10(12-4-9)13-5-7-3-8(7)6-13;5-3-1-7-2-4(6)8-3/h1-2,4-6,10-11H,3,7-8H2,(H2,15,18);1-2,4,7-8,14-15H,3,5-6H2;1-2H,(H2,6,8).

What are the key properties of [6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrazin-2-amine;6-chloropyrazin-2-amine?

[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrazin-2-amine;6-chloropyrazin-2-amine has a molecular weight of 586.90 g/mol, XLogP of 1.51, 4 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrazin-2-amine;6-chloropyrazin-2-amine is sourced from PubChem (CID 158572098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).