6-bromo-2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine;1-cyclopropylethanone;N-[2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]cyclopropanecarboxamide

C31H32BrN9O4 — CID 158025653

IUPAC6-bromo-2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine;1-cyclopropylethanone;N-[2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]cyclopropanecarboxamide
SMILESCC(=O)C1CC1.Cc1nc2c(-c3ccc(C)o3)nc(Br)cn2n1.Cc1nc2c(-c3ccc(C)o3)nc(NC(=O)C3CC3)cn2n1
InChIInChI=1S/C15H15N5O2.C11H9BrN4O.C5H8O/c1-8-3-6-11(22-8)13-14-16-9(2)19-20(14)7-12(17-13)18-15(21)10-4-5-10;1-6-3-4-8(17-6)10-11-13-7(2)15-16(11)5-9(12)14-10;1-4(6)5-2-3-5/h3,6-7,10H,4-5H2,1-2H3,(H,18,21);3-5H,1-2H3;5H,2-3H2,1H3
InChIKeyFGOPWNFRNOZBNC-UHFFFAOYSA-N
MW674.56 g/mol
LogP6.10
Rot. Bonds5

About 6-bromo-2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine;1-cyclopropylethanone;N-[2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]cyclopropanecarboxamide

6-bromo-2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine;1-cyclopropylethanone;N-[2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]cyclopropanecarboxamide (PubChem CID 158025653) has the molecular formula C31H32BrN9O4 and a molecular weight of 674.56 g/mol. Its IUPAC name is 6-bromo-2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine;1-cyclopropylethanone;N-[2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound Name6-bromo-2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine;1-cyclopropylethanone;N-[2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]cyclopropanecarboxamide
PubChem CID158025653
Molecular FormulaC31H32BrN9O4
Molecular Weight674.56 g/mol
Exact Mass673.18
IUPAC Name6-bromo-2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine;1-cyclopropylethanone;N-[2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]cyclopropanecarboxamide
SMILESCC(=O)C1CC1.Cc1nc2c(-c3ccc(C)o3)nc(Br)cn2n1.Cc1nc2c(-c3ccc(C)o3)nc(NC(=O)C3CC3)cn2n1
InChIInChI=1S/C15H15N5O2.C11H9BrN4O.C5H8O/c1-8-3-6-11(22-8)13-14-16-9(2)19-20(14)7-12(17-13)18-15(21)10-4-5-10;1-6-3-4-8(17-6)10-11-13-7(2)15-16(11)5-9(12)14-10;1-4(6)5-2-3-5/h3,6-7,10H,4-5H2,1-2H3,(H,18,21);3-5H,1-2H3;5H,2-3H2,1H3
InChIKeyFGOPWNFRNOZBNC-UHFFFAOYSA-N
XLogP6.10
TPSA158.61 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500674.56
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 6-bromo-2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine;1-cyclopropylethanone;N-[2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine;1-cyclopropylethanone;N-[2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]cyclopropanecarboxamide?
The IUPAC name of 6-bromo-2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine;1-cyclopropylethanone;N-[2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]cyclopropanecarboxamide (CID 158025653) is 6-bromo-2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine;1-cyclopropylethanone;N-[2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for 6-bromo-2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine;1-cyclopropylethanone;N-[2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for 6-bromo-2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine;1-cyclopropylethanone;N-[2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]cyclopropanecarboxamide is CC(=O)C1CC1.Cc1nc2c(-c3ccc(C)o3)nc(Br)cn2n1.Cc1nc2c(-c3ccc(C)o3)nc(NC(=O)C3CC3)cn2n1.
What is the InChIKey of 6-bromo-2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine;1-cyclopropylethanone;N-[2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]cyclopropanecarboxamide?
The InChIKey is FGOPWNFRNOZBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2.C11H9BrN4O.C5H8O/c1-8-3-6-11(22-8)13-14-16-9(2)19-20(14)7-12(17-13)18-15(21)10-4-5-10;1-6-3-4-8(17-6)10-11-13-7(2)15-16(11)5-9(12)14-10;1-4(6)5-2-3-5/h3,6-7,10H,4-5H2,1-2H3,(H,18,21);3-5H,1-2H3;5H,2-3H2,1H3.
What are the key properties of 6-bromo-2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine;1-cyclopropylethanone;N-[2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]cyclopropanecarboxamide?
6-bromo-2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine;1-cyclopropylethanone;N-[2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]cyclopropanecarboxamide has a molecular weight of 674.56 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine;1-cyclopropylethanone;N-[2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 158025653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).