(5-amino-6-methylpyrazin-2-yl)boronic acid

C5H8BN3O2 — CID 167351042

IUPAC(5-amino-6-methylpyrazin-2-yl)boronic acid
SMILESCc1nc(B(O)O)cnc1N
InChIInChI=1S/C5H8BN3O2/c1-3-5(7)8-2-4(9-3)6(10)11/h2,10-11H,1H3,(H2,7,8)
InChIKeyHDBQWYCPCKBEKA-UHFFFAOYSA-N
MW152.95 g/mol
LogP-1.95
Rot. Bonds1

About (5-amino-6-methylpyrazin-2-yl)boronic acid

(5-amino-6-methylpyrazin-2-yl)boronic acid (PubChem CID 167351042) has the molecular formula C5H8BN3O2 and a molecular weight of 152.95 g/mol. Its IUPAC name is (5-amino-6-methylpyrazin-2-yl)boronic acid.

Molecular Properties

Compound Name(5-amino-6-methylpyrazin-2-yl)boronic acid
PubChem CID167351042
Molecular FormulaC5H8BN3O2
Molecular Weight152.95 g/mol
Exact Mass153.07
IUPAC Name(5-amino-6-methylpyrazin-2-yl)boronic acid
SMILESCc1nc(B(O)O)cnc1N
InChIInChI=1S/C5H8BN3O2/c1-3-5(7)8-2-4(9-3)6(10)11/h2,10-11H,1H3,(H2,7,8)
InChIKeyHDBQWYCPCKBEKA-UHFFFAOYSA-N
XLogP-1.95
TPSA92.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.95
LogP ≤ 5-1.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-amino-6-methylpyrazin-2-yl)boronic acid?
The IUPAC name of (5-amino-6-methylpyrazin-2-yl)boronic acid (CID 167351042) is (5-amino-6-methylpyrazin-2-yl)boronic acid.
What is the SMILES notation for (5-amino-6-methylpyrazin-2-yl)boronic acid?
The canonical SMILES for (5-amino-6-methylpyrazin-2-yl)boronic acid is Cc1nc(B(O)O)cnc1N.
What is the InChIKey of (5-amino-6-methylpyrazin-2-yl)boronic acid?
The InChIKey is HDBQWYCPCKBEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BN3O2/c1-3-5(7)8-2-4(9-3)6(10)11/h2,10-11H,1H3,(H2,7,8).
What are the key properties of (5-amino-6-methylpyrazin-2-yl)boronic acid?
(5-amino-6-methylpyrazin-2-yl)boronic acid has a molecular weight of 152.95 g/mol, XLogP of -1.95, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-6-methylpyrazin-2-yl)boronic acid is sourced from PubChem (CID 167351042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).