6-ethyl-2,5-diazabicyclo[2.1.1]hexa-1,3-diene

C6H8N2 — CID 67613479

IUPAC6-ethyl-2,5-diazabicyclo[2.1.1]hexa-1,3-diene
SMILESCCC1c2cnc1[nH]2
InChIInChI=1S/C6H8N2/c1-2-4-5-3-7-6(4)8-5/h3-4H,2H2,1H3,(H,7,8)
InChIKeyWKWBEZLBUREIJP-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.26
Rot. Bonds1

About 6-ethyl-2,5-diazabicyclo[2.1.1]hexa-1,3-diene

6-ethyl-2,5-diazabicyclo[2.1.1]hexa-1,3-diene (PubChem CID 67613479) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 6-ethyl-2,5-diazabicyclo[2.1.1]hexa-1,3-diene.

Molecular Properties

Compound Name6-ethyl-2,5-diazabicyclo[2.1.1]hexa-1,3-diene
PubChem CID67613479
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name6-ethyl-2,5-diazabicyclo[2.1.1]hexa-1,3-diene
SMILESCCC1c2cnc1[nH]2
InChIInChI=1S/C6H8N2/c1-2-4-5-3-7-6(4)8-5/h3-4H,2H2,1H3,(H,7,8)
InChIKeyWKWBEZLBUREIJP-UHFFFAOYSA-N
XLogP1.26
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,5-diazabicyclo[2.1.1]hexa-1,3-diene?
The IUPAC name of 6-ethyl-2,5-diazabicyclo[2.1.1]hexa-1,3-diene (CID 67613479) is 6-ethyl-2,5-diazabicyclo[2.1.1]hexa-1,3-diene.
What is the SMILES notation for 6-ethyl-2,5-diazabicyclo[2.1.1]hexa-1,3-diene?
The canonical SMILES for 6-ethyl-2,5-diazabicyclo[2.1.1]hexa-1,3-diene is CCC1c2cnc1[nH]2.
What is the InChIKey of 6-ethyl-2,5-diazabicyclo[2.1.1]hexa-1,3-diene?
The InChIKey is WKWBEZLBUREIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-2-4-5-3-7-6(4)8-5/h3-4H,2H2,1H3,(H,7,8).
What are the key properties of 6-ethyl-2,5-diazabicyclo[2.1.1]hexa-1,3-diene?
6-ethyl-2,5-diazabicyclo[2.1.1]hexa-1,3-diene has a molecular weight of 108.14 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,5-diazabicyclo[2.1.1]hexa-1,3-diene is sourced from PubChem (CID 67613479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).