5-bromo-N-[(1-methyltriazol-4-yl)methyl]pyrazin-2-amine

C8H9BrN6 — CID 130747952

IUPAC5-bromo-N-[(1-methyltriazol-4-yl)methyl]pyrazin-2-amine
SMILESCn1cc(CNc2cnc(Br)cn2)nn1
InChIInChI=1S/C8H9BrN6/c1-15-5-6(13-14-15)2-11-8-4-10-7(9)3-12-8/h3-5H,2H2,1H3,(H,11,12)
InChIKeyXICCJLHDIYMIQZ-UHFFFAOYSA-N
MW269.11 g/mol
LogP0.98
Rot. Bonds3

About 5-bromo-N-[(1-methyltriazol-4-yl)methyl]pyrazin-2-amine

5-bromo-N-[(1-methyltriazol-4-yl)methyl]pyrazin-2-amine (PubChem CID 130747952) has the molecular formula C8H9BrN6 and a molecular weight of 269.11 g/mol. Its IUPAC name is 5-bromo-N-[(1-methyltriazol-4-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(1-methyltriazol-4-yl)methyl]pyrazin-2-amine
PubChem CID130747952
Molecular FormulaC8H9BrN6
Molecular Weight269.11 g/mol
Exact Mass268.01
IUPAC Name5-bromo-N-[(1-methyltriazol-4-yl)methyl]pyrazin-2-amine
SMILESCn1cc(CNc2cnc(Br)cn2)nn1
InChIInChI=1S/C8H9BrN6/c1-15-5-6(13-14-15)2-11-8-4-10-7(9)3-12-8/h3-5H,2H2,1H3,(H,11,12)
InChIKeyXICCJLHDIYMIQZ-UHFFFAOYSA-N
XLogP0.98
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.11
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-methyltriazol-4-yl)methyl]pyrazin-2-amine?
The IUPAC name of 5-bromo-N-[(1-methyltriazol-4-yl)methyl]pyrazin-2-amine (CID 130747952) is 5-bromo-N-[(1-methyltriazol-4-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 5-bromo-N-[(1-methyltriazol-4-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 5-bromo-N-[(1-methyltriazol-4-yl)methyl]pyrazin-2-amine is Cn1cc(CNc2cnc(Br)cn2)nn1.
What is the InChIKey of 5-bromo-N-[(1-methyltriazol-4-yl)methyl]pyrazin-2-amine?
The InChIKey is XICCJLHDIYMIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN6/c1-15-5-6(13-14-15)2-11-8-4-10-7(9)3-12-8/h3-5H,2H2,1H3,(H,11,12).
What are the key properties of 5-bromo-N-[(1-methyltriazol-4-yl)methyl]pyrazin-2-amine?
5-bromo-N-[(1-methyltriazol-4-yl)methyl]pyrazin-2-amine has a molecular weight of 269.11 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-methyltriazol-4-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 130747952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).