3,8,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene

C7H5N3 — CID 126510331

IUPAC3,8,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
SMILESC1=CC=c2nc[nH]c2=CN=1
InChIInChI=1S/C7H5N3/c1-2-6-7(4-8-3-1)10-5-9-6/h1-2,4-5H,(H,9,10)
InChIKeyNWVYSLNRXKTBNC-UHFFFAOYSA-N
MW131.14 g/mol
LogP-0.83
Rot. Bonds

About 3,8,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene

3,8,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene (PubChem CID 126510331) has the molecular formula C7H5N3 and a molecular weight of 131.14 g/mol. Its IUPAC name is 3,8,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene.

Molecular Properties

Compound Name3,8,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
PubChem CID126510331
Molecular FormulaC7H5N3
Molecular Weight131.14 g/mol
Exact Mass131.05
IUPAC Name3,8,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
SMILESC1=CC=c2nc[nH]c2=CN=1
InChIInChI=1S/C7H5N3/c1-2-6-7(4-8-3-1)10-5-9-6/h1-2,4-5H,(H,9,10)
InChIKeyNWVYSLNRXKTBNC-UHFFFAOYSA-N
XLogP-0.83
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.14
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,8,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene?
The IUPAC name of 3,8,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene (CID 126510331) is 3,8,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene.
What is the SMILES notation for 3,8,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene?
The canonical SMILES for 3,8,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene is C1=CC=c2nc[nH]c2=CN=1.
What is the InChIKey of 3,8,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene?
The InChIKey is NWVYSLNRXKTBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3/c1-2-6-7(4-8-3-1)10-5-9-6/h1-2,4-5H,(H,9,10).
What are the key properties of 3,8,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene?
3,8,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene has a molecular weight of 131.14 g/mol, XLogP of -0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene is sourced from PubChem (CID 126510331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).