acetylene;6-(4-bromo-1H-indol-2-yl)-N-ethyl-5-methylpyrazin-2-amine

C17H17BrN4 — CID 144921282

IUPACacetylene;6-(4-bromo-1H-indol-2-yl)-N-ethyl-5-methylpyrazin-2-amine
SMILESC#C.CCNc1cnc(C)c(-c2cc3c(Br)cccc3[nH]2)n1
InChIInChI=1S/C15H15BrN4.C2H2/c1-3-17-14-8-18-9(2)15(20-14)13-7-10-11(16)5-4-6-12(10)19-13;1-2/h4-8,19H,3H2,1-2H3,(H,17,20);1-2H
InChIKeyOQIWZXOGGLHLDQ-UHFFFAOYSA-N
MW357.26 g/mol
LogP4.38
Rot. Bonds3

About acetylene;6-(4-bromo-1H-indol-2-yl)-N-ethyl-5-methylpyrazin-2-amine

acetylene;6-(4-bromo-1H-indol-2-yl)-N-ethyl-5-methylpyrazin-2-amine (PubChem CID 144921282) has the molecular formula C17H17BrN4 and a molecular weight of 357.26 g/mol. Its IUPAC name is acetylene;6-(4-bromo-1H-indol-2-yl)-N-ethyl-5-methylpyrazin-2-amine.

Molecular Properties

Compound Nameacetylene;6-(4-bromo-1H-indol-2-yl)-N-ethyl-5-methylpyrazin-2-amine
PubChem CID144921282
Molecular FormulaC17H17BrN4
Molecular Weight357.26 g/mol
Exact Mass356.06
IUPAC Nameacetylene;6-(4-bromo-1H-indol-2-yl)-N-ethyl-5-methylpyrazin-2-amine
SMILESC#C.CCNc1cnc(C)c(-c2cc3c(Br)cccc3[nH]2)n1
InChIInChI=1S/C15H15BrN4.C2H2/c1-3-17-14-8-18-9(2)15(20-14)13-7-10-11(16)5-4-6-12(10)19-13;1-2/h4-8,19H,3H2,1-2H3,(H,17,20);1-2H
InChIKeyOQIWZXOGGLHLDQ-UHFFFAOYSA-N
XLogP4.38
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.26
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetylene;6-(4-bromo-1H-indol-2-yl)-N-ethyl-5-methylpyrazin-2-amine?
The IUPAC name of acetylene;6-(4-bromo-1H-indol-2-yl)-N-ethyl-5-methylpyrazin-2-amine (CID 144921282) is acetylene;6-(4-bromo-1H-indol-2-yl)-N-ethyl-5-methylpyrazin-2-amine.
What is the SMILES notation for acetylene;6-(4-bromo-1H-indol-2-yl)-N-ethyl-5-methylpyrazin-2-amine?
The canonical SMILES for acetylene;6-(4-bromo-1H-indol-2-yl)-N-ethyl-5-methylpyrazin-2-amine is C#C.CCNc1cnc(C)c(-c2cc3c(Br)cccc3[nH]2)n1.
What is the InChIKey of acetylene;6-(4-bromo-1H-indol-2-yl)-N-ethyl-5-methylpyrazin-2-amine?
The InChIKey is OQIWZXOGGLHLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4.C2H2/c1-3-17-14-8-18-9(2)15(20-14)13-7-10-11(16)5-4-6-12(10)19-13;1-2/h4-8,19H,3H2,1-2H3,(H,17,20);1-2H.
What are the key properties of acetylene;6-(4-bromo-1H-indol-2-yl)-N-ethyl-5-methylpyrazin-2-amine?
acetylene;6-(4-bromo-1H-indol-2-yl)-N-ethyl-5-methylpyrazin-2-amine has a molecular weight of 357.26 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;6-(4-bromo-1H-indol-2-yl)-N-ethyl-5-methylpyrazin-2-amine is sourced from PubChem (CID 144921282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).