3-methyl-3,6-diazabicyclo[3.2.0]hepta-1(7),5-diene

C6H8N2 — CID 123370633

IUPAC3-methyl-3,6-diazabicyclo[3.2.0]hepta-1(7),5-diene
SMILESCN1CC2=CN=C2C1
InChIInChI=1S/C6H8N2/c1-8-3-5-2-7-6(5)4-8/h2H,3-4H2,1H3
InChIKeyOYUNIHDFQWNALV-UHFFFAOYSA-N
MW108.14 g/mol
LogP0.27
Rot. Bonds

About 3-methyl-3,6-diazabicyclo[3.2.0]hepta-1(7),5-diene

3-methyl-3,6-diazabicyclo[3.2.0]hepta-1(7),5-diene (PubChem CID 123370633) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 3-methyl-3,6-diazabicyclo[3.2.0]hepta-1(7),5-diene.

Molecular Properties

Compound Name3-methyl-3,6-diazabicyclo[3.2.0]hepta-1(7),5-diene
PubChem CID123370633
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name3-methyl-3,6-diazabicyclo[3.2.0]hepta-1(7),5-diene
SMILESCN1CC2=CN=C2C1
InChIInChI=1S/C6H8N2/c1-8-3-5-2-7-6(5)4-8/h2H,3-4H2,1H3
InChIKeyOYUNIHDFQWNALV-UHFFFAOYSA-N
XLogP0.27
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,6-diazabicyclo[3.2.0]hepta-1(7),5-diene?
The IUPAC name of 3-methyl-3,6-diazabicyclo[3.2.0]hepta-1(7),5-diene (CID 123370633) is 3-methyl-3,6-diazabicyclo[3.2.0]hepta-1(7),5-diene.
What is the SMILES notation for 3-methyl-3,6-diazabicyclo[3.2.0]hepta-1(7),5-diene?
The canonical SMILES for 3-methyl-3,6-diazabicyclo[3.2.0]hepta-1(7),5-diene is CN1CC2=CN=C2C1.
What is the InChIKey of 3-methyl-3,6-diazabicyclo[3.2.0]hepta-1(7),5-diene?
The InChIKey is OYUNIHDFQWNALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-8-3-5-2-7-6(5)4-8/h2H,3-4H2,1H3.
What are the key properties of 3-methyl-3,6-diazabicyclo[3.2.0]hepta-1(7),5-diene?
3-methyl-3,6-diazabicyclo[3.2.0]hepta-1(7),5-diene has a molecular weight of 108.14 g/mol, XLogP of 0.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,6-diazabicyclo[3.2.0]hepta-1(7),5-diene is sourced from PubChem (CID 123370633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).