6-bromo-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine

C10H7BrN4O — CID 158120099

IUPAC6-bromo-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ccc(-c2nc(Br)cn3ncnc23)o1
InChIInChI=1S/C10H7BrN4O/c1-6-2-3-7(16-6)9-10-12-5-13-15(10)4-8(11)14-9/h2-5H,1H3
InChIKeyQVORQRUUEXQIML-UHFFFAOYSA-N
MW279.10 g/mol
LogP2.46
Rot. Bonds1

About 6-bromo-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine

6-bromo-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 158120099) has the molecular formula C10H7BrN4O and a molecular weight of 279.10 g/mol. Its IUPAC name is 6-bromo-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name6-bromo-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID158120099
Molecular FormulaC10H7BrN4O
Molecular Weight279.10 g/mol
Exact Mass277.98
IUPAC Name6-bromo-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ccc(-c2nc(Br)cn3ncnc23)o1
InChIInChI=1S/C10H7BrN4O/c1-6-2-3-7(16-6)9-10-12-5-13-15(10)4-8(11)14-9/h2-5H,1H3
InChIKeyQVORQRUUEXQIML-UHFFFAOYSA-N
XLogP2.46
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.10
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 6-bromo-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine (CID 158120099) is 6-bromo-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 6-bromo-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 6-bromo-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine is Cc1ccc(-c2nc(Br)cn3ncnc23)o1.
What is the InChIKey of 6-bromo-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is QVORQRUUEXQIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN4O/c1-6-2-3-7(16-6)9-10-12-5-13-15(10)4-8(11)14-9/h2-5H,1H3.
What are the key properties of 6-bromo-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine?
6-bromo-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 279.10 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 158120099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).