1,2,8,9-tetrazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene

C6H4N4 — CID 130470603

IUPAC1,2,8,9-tetrazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene
SMILESC1=CC=Cc2nncn2N=1
InChIInChI=1S/C6H4N4/c1-2-4-8-10-5-7-9-6(10)3-1/h1-3,5H
InChIKeyXWIDPIMOMDCPFW-UHFFFAOYSA-N
MW132.13 g/mol
LogP0.29
Rot. Bonds

About 1,2,8,9-tetrazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene

1,2,8,9-tetrazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene (PubChem CID 130470603) has the molecular formula C6H4N4 and a molecular weight of 132.13 g/mol. Its IUPAC name is 1,2,8,9-tetrazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene.

Molecular Properties

Compound Name1,2,8,9-tetrazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene
PubChem CID130470603
Molecular FormulaC6H4N4
Molecular Weight132.13 g/mol
Exact Mass132.04
IUPAC Name1,2,8,9-tetrazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene
SMILESC1=CC=Cc2nncn2N=1
InChIInChI=1S/C6H4N4/c1-2-4-8-10-5-7-9-6(10)3-1/h1-3,5H
InChIKeyXWIDPIMOMDCPFW-UHFFFAOYSA-N
XLogP0.29
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,8,9-tetrazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene?
The IUPAC name of 1,2,8,9-tetrazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene (CID 130470603) is 1,2,8,9-tetrazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene.
What is the SMILES notation for 1,2,8,9-tetrazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene?
The canonical SMILES for 1,2,8,9-tetrazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene is C1=CC=Cc2nncn2N=1.
What is the InChIKey of 1,2,8,9-tetrazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene?
The InChIKey is XWIDPIMOMDCPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4/c1-2-4-8-10-5-7-9-6(10)3-1/h1-3,5H.
What are the key properties of 1,2,8,9-tetrazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene?
1,2,8,9-tetrazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene has a molecular weight of 132.13 g/mol, XLogP of 0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,8,9-tetrazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene is sourced from PubChem (CID 130470603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).