6,8-dibromo-3-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indole

C11H8Br2N4O — CID 155814647

IUPAC6,8-dibromo-3-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indole
SMILESCOc1nnc2c3cc(Br)cc(Br)c3n(C)c2n1
InChIInChI=1S/C11H8Br2N4O/c1-17-9-6(3-5(12)4-7(9)13)8-10(17)14-11(18-2)16-15-8/h3-4H,1-2H3
InChIKeyVOTOXQOGDZGJIE-UHFFFAOYSA-N
MW372.02 g/mol
LogP3.05
Rot. Bonds1

About 6,8-dibromo-3-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indole

6,8-dibromo-3-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indole (PubChem CID 155814647) has the molecular formula C11H8Br2N4O and a molecular weight of 372.02 g/mol. Its IUPAC name is 6,8-dibromo-3-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indole.

Molecular Properties

Compound Name6,8-dibromo-3-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indole
PubChem CID155814647
Molecular FormulaC11H8Br2N4O
Molecular Weight372.02 g/mol
Exact Mass369.91
IUPAC Name6,8-dibromo-3-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indole
SMILESCOc1nnc2c3cc(Br)cc(Br)c3n(C)c2n1
InChIInChI=1S/C11H8Br2N4O/c1-17-9-6(3-5(12)4-7(9)13)8-10(17)14-11(18-2)16-15-8/h3-4H,1-2H3
InChIKeyVOTOXQOGDZGJIE-UHFFFAOYSA-N
XLogP3.05
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.02
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-3-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indole?
The IUPAC name of 6,8-dibromo-3-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indole (CID 155814647) is 6,8-dibromo-3-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indole.
What is the SMILES notation for 6,8-dibromo-3-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indole?
The canonical SMILES for 6,8-dibromo-3-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indole is COc1nnc2c3cc(Br)cc(Br)c3n(C)c2n1.
What is the InChIKey of 6,8-dibromo-3-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indole?
The InChIKey is VOTOXQOGDZGJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N4O/c1-17-9-6(3-5(12)4-7(9)13)8-10(17)14-11(18-2)16-15-8/h3-4H,1-2H3.
What are the key properties of 6,8-dibromo-3-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indole?
6,8-dibromo-3-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indole has a molecular weight of 372.02 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-3-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indole is sourced from PubChem (CID 155814647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).