5-[2-(4-bromophenoxy)ethyl-ethylamino]pyrazine-2-carbonitrile

C15H15BrN4O — CID 133492593

IUPAC5-[2-(4-bromophenoxy)ethyl-ethylamino]pyrazine-2-carbonitrile
SMILESCCN(CCOc1ccc(Br)cc1)c1cnc(C#N)cn1
InChIInChI=1S/C15H15BrN4O/c1-2-20(15-11-18-13(9-17)10-19-15)7-8-21-14-5-3-12(16)4-6-14/h3-6,10-11H,2,7-8H2,1H3
InChIKeyHILYVBXJERZURX-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.02
Rot. Bonds6

About 5-[2-(4-bromophenoxy)ethyl-ethylamino]pyrazine-2-carbonitrile

5-[2-(4-bromophenoxy)ethyl-ethylamino]pyrazine-2-carbonitrile (PubChem CID 133492593) has the molecular formula C15H15BrN4O and a molecular weight of 347.22 g/mol. Its IUPAC name is 5-[2-(4-bromophenoxy)ethyl-ethylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(4-bromophenoxy)ethyl-ethylamino]pyrazine-2-carbonitrile
PubChem CID133492593
Molecular FormulaC15H15BrN4O
Molecular Weight347.22 g/mol
Exact Mass346.04
IUPAC Name5-[2-(4-bromophenoxy)ethyl-ethylamino]pyrazine-2-carbonitrile
SMILESCCN(CCOc1ccc(Br)cc1)c1cnc(C#N)cn1
InChIInChI=1S/C15H15BrN4O/c1-2-20(15-11-18-13(9-17)10-19-15)7-8-21-14-5-3-12(16)4-6-14/h3-6,10-11H,2,7-8H2,1H3
InChIKeyHILYVBXJERZURX-UHFFFAOYSA-N
XLogP3.02
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-bromophenoxy)ethyl-ethylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[2-(4-bromophenoxy)ethyl-ethylamino]pyrazine-2-carbonitrile (CID 133492593) is 5-[2-(4-bromophenoxy)ethyl-ethylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[2-(4-bromophenoxy)ethyl-ethylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[2-(4-bromophenoxy)ethyl-ethylamino]pyrazine-2-carbonitrile is CCN(CCOc1ccc(Br)cc1)c1cnc(C#N)cn1.
What is the InChIKey of 5-[2-(4-bromophenoxy)ethyl-ethylamino]pyrazine-2-carbonitrile?
The InChIKey is HILYVBXJERZURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O/c1-2-20(15-11-18-13(9-17)10-19-15)7-8-21-14-5-3-12(16)4-6-14/h3-6,10-11H,2,7-8H2,1H3.
What are the key properties of 5-[2-(4-bromophenoxy)ethyl-ethylamino]pyrazine-2-carbonitrile?
5-[2-(4-bromophenoxy)ethyl-ethylamino]pyrazine-2-carbonitrile has a molecular weight of 347.22 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-bromophenoxy)ethyl-ethylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133492593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).