1-bromo-3,5-dimethylpyrazin-2-imine

C6H8BrN3 — CID 139439126

IUPAC1-bromo-3,5-dimethylpyrazin-2-imine
SMILES[H]/N=c1\c(C)nc(C)cn1Br
InChIInChI=1S/C6H8BrN3/c1-4-3-10(7)6(8)5(2)9-4/h3,8H,1-2H3/b8-6+
InChIKeySRWGTAYDRDWFCO-SOFGYWHQSA-N
MW202.06 g/mol
LogP1.14
Rot. Bonds

About 1-bromo-3,5-dimethylpyrazin-2-imine

1-bromo-3,5-dimethylpyrazin-2-imine (PubChem CID 139439126) has the molecular formula C6H8BrN3 and a molecular weight of 202.06 g/mol. Its IUPAC name is 1-bromo-3,5-dimethylpyrazin-2-imine.

Molecular Properties

Compound Name1-bromo-3,5-dimethylpyrazin-2-imine
PubChem CID139439126
Molecular FormulaC6H8BrN3
Molecular Weight202.06 g/mol
Exact Mass200.99
IUPAC Name1-bromo-3,5-dimethylpyrazin-2-imine
SMILES[H]/N=c1\c(C)nc(C)cn1Br
InChIInChI=1S/C6H8BrN3/c1-4-3-10(7)6(8)5(2)9-4/h3,8H,1-2H3/b8-6+
InChIKeySRWGTAYDRDWFCO-SOFGYWHQSA-N
XLogP1.14
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.06
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Hydroxy-3,5-dimethylpyrazin-2-imine
CID 131553763
1-Ethenyl-3,5-dimethylpyrazin-2-imine
CID 139439156
1,3,5-Trimethylpyrazin-2-imine
CID 155073800
1-Ethyl-3,5-dimethylpyrazin-2-imine
CID 163653575
1-Methanimidoyl-3,5-dimethylpyrazin-2-imine
CID 166773725

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3,5-dimethylpyrazin-2-imine?
The IUPAC name of 1-bromo-3,5-dimethylpyrazin-2-imine (CID 139439126) is 1-bromo-3,5-dimethylpyrazin-2-imine.
What is the SMILES notation for 1-bromo-3,5-dimethylpyrazin-2-imine?
The canonical SMILES for 1-bromo-3,5-dimethylpyrazin-2-imine is [H]/N=c1\c(C)nc(C)cn1Br.
What is the InChIKey of 1-bromo-3,5-dimethylpyrazin-2-imine?
The InChIKey is SRWGTAYDRDWFCO-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H8BrN3/c1-4-3-10(7)6(8)5(2)9-4/h3,8H,1-2H3/b8-6+.
What are the key properties of 1-bromo-3,5-dimethylpyrazin-2-imine?
1-bromo-3,5-dimethylpyrazin-2-imine has a molecular weight of 202.06 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3,5-dimethylpyrazin-2-imine is sourced from PubChem (CID 139439126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).