2,8,10-triazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene

C7H5N3 — CID 123736072

IUPAC2,8,10-triazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
SMILESC1=CC=c2[nH]cnc2=NC=1
InChIInChI=1S/C7H5N3/c1-2-4-8-7-6(3-1)9-5-10-7/h1,3-5H,(H,8,9,10)
InChIKeyIGNGVDDCVCDSGT-UHFFFAOYSA-N
MW131.14 g/mol
LogP-0.51
Rot. Bonds

About 2,8,10-triazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene

2,8,10-triazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene (PubChem CID 123736072) has the molecular formula C7H5N3 and a molecular weight of 131.14 g/mol. Its IUPAC name is 2,8,10-triazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene.

Molecular Properties

Compound Name2,8,10-triazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
PubChem CID123736072
Molecular FormulaC7H5N3
Molecular Weight131.14 g/mol
Exact Mass131.05
IUPAC Name2,8,10-triazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
SMILESC1=CC=c2[nH]cnc2=NC=1
InChIInChI=1S/C7H5N3/c1-2-4-8-7-6(3-1)9-5-10-7/h1,3-5H,(H,8,9,10)
InChIKeyIGNGVDDCVCDSGT-UHFFFAOYSA-N
XLogP-0.51
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 ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3,7-Dihydroimidazo[4,5-e][1,3]diazepine
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1,5-Dihydroimidazo[4,5-e][1,4]diazepine
CID 91462181
3,8,10-Triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
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CID 144420291
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CID 169113379
2,3,8,10-Tetrazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
CID 176523119

Frequently Asked Questions

What is the IUPAC name of 2,8,10-triazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene?
The IUPAC name of 2,8,10-triazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene (CID 123736072) is 2,8,10-triazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene.
What is the SMILES notation for 2,8,10-triazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene?
The canonical SMILES for 2,8,10-triazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene is C1=CC=c2[nH]cnc2=NC=1.
What is the InChIKey of 2,8,10-triazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene?
The InChIKey is IGNGVDDCVCDSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3/c1-2-4-8-7-6(3-1)9-5-10-7/h1,3-5H,(H,8,9,10).
What are the key properties of 2,8,10-triazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene?
2,8,10-triazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene has a molecular weight of 131.14 g/mol, XLogP of -0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,10-triazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene is sourced from PubChem (CID 123736072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).