3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene;pyrazin-2-amine

C10H8BrN3 — CID 67256389

IUPAC3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene;pyrazin-2-amine
SMILESBrc1cc2cc-2c1.Nc1cnccn1
InChIInChI=1S/C6H3Br.C4H5N3/c7-6-2-4-1-5(4)3-6;5-4-3-6-1-2-7-4/h1-3H;1-3H,(H2,5,7)
InChIKeyWPTADJBQFJOWNA-UHFFFAOYSA-N
MW250.10 g/mol
LogP2.49
Rot. Bonds

About 3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene;pyrazin-2-amine

3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene;pyrazin-2-amine (PubChem CID 67256389) has the molecular formula C10H8BrN3 and a molecular weight of 250.10 g/mol. Its IUPAC name is 3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene;pyrazin-2-amine.

Molecular Properties

Compound Name3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene;pyrazin-2-amine
PubChem CID67256389
Molecular FormulaC10H8BrN3
Molecular Weight250.10 g/mol
Exact Mass248.99
IUPAC Name3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene;pyrazin-2-amine
SMILESBrc1cc2cc-2c1.Nc1cnccn1
InChIInChI=1S/C6H3Br.C4H5N3/c7-6-2-4-1-5(4)3-6;5-4-3-6-1-2-7-4/h1-3H;1-3H,(H2,5,7)
InChIKeyWPTADJBQFJOWNA-UHFFFAOYSA-N
XLogP2.49
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.10
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene;pyrazin-2-amine?
The IUPAC name of 3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene;pyrazin-2-amine (CID 67256389) is 3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene;pyrazin-2-amine.
What is the SMILES notation for 3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene;pyrazin-2-amine?
The canonical SMILES for 3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene;pyrazin-2-amine is Brc1cc2cc-2c1.Nc1cnccn1.
What is the InChIKey of 3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene;pyrazin-2-amine?
The InChIKey is WPTADJBQFJOWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br.C4H5N3/c7-6-2-4-1-5(4)3-6;5-4-3-6-1-2-7-4/h1-3H;1-3H,(H2,5,7).
What are the key properties of 3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene;pyrazin-2-amine?
3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene;pyrazin-2-amine has a molecular weight of 250.10 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene;pyrazin-2-amine is sourced from PubChem (CID 67256389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).