3-bromo-5-(4-cyclopropylphenyl)pyrazin-2-amine

C13H12BrN3 — CID 141342852

IUPAC3-bromo-5-(4-cyclopropylphenyl)pyrazin-2-amine
SMILESNc1ncc(-c2ccc(C3CC3)cc2)nc1Br
InChIInChI=1S/C13H12BrN3/c14-12-13(15)16-7-11(17-12)10-5-3-9(4-6-10)8-1-2-8/h3-8H,1-2H2,(H2,15,16)
InChIKeyBYVQWQUMVCZLRV-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.37
Rot. Bonds2

About 3-bromo-5-(4-cyclopropylphenyl)pyrazin-2-amine

3-bromo-5-(4-cyclopropylphenyl)pyrazin-2-amine (PubChem CID 141342852) has the molecular formula C13H12BrN3 and a molecular weight of 290.16 g/mol. Its IUPAC name is 3-bromo-5-(4-cyclopropylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-bromo-5-(4-cyclopropylphenyl)pyrazin-2-amine
PubChem CID141342852
Molecular FormulaC13H12BrN3
Molecular Weight290.16 g/mol
Exact Mass289.02
IUPAC Name3-bromo-5-(4-cyclopropylphenyl)pyrazin-2-amine
SMILESNc1ncc(-c2ccc(C3CC3)cc2)nc1Br
InChIInChI=1S/C13H12BrN3/c14-12-13(15)16-7-11(17-12)10-5-3-9(4-6-10)8-1-2-8/h3-8H,1-2H2,(H2,15,16)
InChIKeyBYVQWQUMVCZLRV-UHFFFAOYSA-N
XLogP3.37
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(4-cyclopropylphenyl)pyrazin-2-amine?
The IUPAC name of 3-bromo-5-(4-cyclopropylphenyl)pyrazin-2-amine (CID 141342852) is 3-bromo-5-(4-cyclopropylphenyl)pyrazin-2-amine.
What is the SMILES notation for 3-bromo-5-(4-cyclopropylphenyl)pyrazin-2-amine?
The canonical SMILES for 3-bromo-5-(4-cyclopropylphenyl)pyrazin-2-amine is Nc1ncc(-c2ccc(C3CC3)cc2)nc1Br.
What is the InChIKey of 3-bromo-5-(4-cyclopropylphenyl)pyrazin-2-amine?
The InChIKey is BYVQWQUMVCZLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3/c14-12-13(15)16-7-11(17-12)10-5-3-9(4-6-10)8-1-2-8/h3-8H,1-2H2,(H2,15,16).
What are the key properties of 3-bromo-5-(4-cyclopropylphenyl)pyrazin-2-amine?
3-bromo-5-(4-cyclopropylphenyl)pyrazin-2-amine has a molecular weight of 290.16 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(4-cyclopropylphenyl)pyrazin-2-amine is sourced from PubChem (CID 141342852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).