2,5,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene

C7H5N3 — CID 176528342

IUPAC2,5,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
SMILESC1=CN=c2[nH]ccc2=CN=1
InChIInChI=1S/C7H5N3/c1-2-9-7-6(1)5-8-3-4-10-7/h1-2,4-5H,(H,9,10)
InChIKeyNCXPTTJYKDZDNK-UHFFFAOYSA-N
MW131.14 g/mol
LogP-0.43
Rot. Bonds

About 2,5,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene

2,5,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene (PubChem CID 176528342) has the molecular formula C7H5N3 and a molecular weight of 131.14 g/mol. Its IUPAC name is 2,5,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene.

Molecular Properties

Compound Name2,5,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
PubChem CID176528342
Molecular FormulaC7H5N3
Molecular Weight131.14 g/mol
Exact Mass131.05
IUPAC Name2,5,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
SMILESC1=CN=c2[nH]ccc2=CN=1
InChIInChI=1S/C7H5N3/c1-2-9-7-6(1)5-8-3-4-10-7/h1-2,4-5H,(H,9,10)
InChIKeyNCXPTTJYKDZDNK-UHFFFAOYSA-N
XLogP-0.43
TPSA40.51 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 ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene?
The IUPAC name of 2,5,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene (CID 176528342) is 2,5,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene.
What is the SMILES notation for 2,5,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene?
The canonical SMILES for 2,5,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene is C1=CN=c2[nH]ccc2=CN=1.
What is the InChIKey of 2,5,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene?
The InChIKey is NCXPTTJYKDZDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3/c1-2-9-7-6(1)5-8-3-4-10-7/h1-2,4-5H,(H,9,10).
What are the key properties of 2,5,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene?
2,5,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene has a molecular weight of 131.14 g/mol, XLogP of -0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene is sourced from PubChem (CID 176528342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).