2-N-(2-bicyclo[2.2.1]heptanyl)-6-N-ethylpyrazine-2,6-diamine

C13H20N4 — CID 78997552

IUPAC2-N-(2-bicyclo[2.2.1]heptanyl)-6-N-ethylpyrazine-2,6-diamine
SMILESCCNc1cncc(NC2CC3CCC2C3)n1
InChIInChI=1S/C13H20N4/c1-2-15-12-7-14-8-13(17-12)16-11-6-9-3-4-10(11)5-9/h7-11H,2-6H2,1H3,(H2,15,16,17)
InChIKeyNCXYIOYPDPAVFK-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.51
Rot. Bonds4

About 2-N-(2-bicyclo[2.2.1]heptanyl)-6-N-ethylpyrazine-2,6-diamine

2-N-(2-bicyclo[2.2.1]heptanyl)-6-N-ethylpyrazine-2,6-diamine (PubChem CID 78997552) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-N-(2-bicyclo[2.2.1]heptanyl)-6-N-ethylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2-bicyclo[2.2.1]heptanyl)-6-N-ethylpyrazine-2,6-diamine
PubChem CID78997552
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-N-(2-bicyclo[2.2.1]heptanyl)-6-N-ethylpyrazine-2,6-diamine
SMILESCCNc1cncc(NC2CC3CCC2C3)n1
InChIInChI=1S/C13H20N4/c1-2-15-12-7-14-8-13(17-12)16-11-6-9-3-4-10(11)5-9/h7-11H,2-6H2,1H3,(H2,15,16,17)
InChIKeyNCXYIOYPDPAVFK-UHFFFAOYSA-N
XLogP2.51
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bicyclo[2.2.1]heptanyl)-6-N-ethylpyrazine-2,6-diamine?
The IUPAC name of 2-N-(2-bicyclo[2.2.1]heptanyl)-6-N-ethylpyrazine-2,6-diamine (CID 78997552) is 2-N-(2-bicyclo[2.2.1]heptanyl)-6-N-ethylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(2-bicyclo[2.2.1]heptanyl)-6-N-ethylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-(2-bicyclo[2.2.1]heptanyl)-6-N-ethylpyrazine-2,6-diamine is CCNc1cncc(NC2CC3CCC2C3)n1.
What is the InChIKey of 2-N-(2-bicyclo[2.2.1]heptanyl)-6-N-ethylpyrazine-2,6-diamine?
The InChIKey is NCXYIOYPDPAVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-2-15-12-7-14-8-13(17-12)16-11-6-9-3-4-10(11)5-9/h7-11H,2-6H2,1H3,(H2,15,16,17).
What are the key properties of 2-N-(2-bicyclo[2.2.1]heptanyl)-6-N-ethylpyrazine-2,6-diamine?
2-N-(2-bicyclo[2.2.1]heptanyl)-6-N-ethylpyrazine-2,6-diamine has a molecular weight of 232.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bicyclo[2.2.1]heptanyl)-6-N-ethylpyrazine-2,6-diamine is sourced from PubChem (CID 78997552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).