2,9,12-triaza-6-azonia-7-azanidatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene

C7H5N5 — CID 135016229

IUPAC2,9,12-triaza-6-azonia-7-azanidatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene
SMILESc1cn2c3nccnc3[n-][n+]2c1
InChIInChI=1S/C7H5N5/c1-4-11-7-6(8-2-3-9-7)10-12(11)5-1/h1-5H
InChIKeyZJOGJVYZYHEBSS-UHFFFAOYSA-N
MW159.15 g/mol
LogP-0.57
Rot. Bonds

About 2,9,12-triaza-6-azonia-7-azanidatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene

2,9,12-triaza-6-azonia-7-azanidatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene (PubChem CID 135016229) has the molecular formula C7H5N5 and a molecular weight of 159.15 g/mol. Its IUPAC name is 2,9,12-triaza-6-azonia-7-azanidatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene.

Molecular Properties

Compound Name2,9,12-triaza-6-azonia-7-azanidatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene
PubChem CID135016229
Molecular FormulaC7H5N5
Molecular Weight159.15 g/mol
Exact Mass159.05
IUPAC Name2,9,12-triaza-6-azonia-7-azanidatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene
SMILESc1cn2c3nccnc3[n-][n+]2c1
InChIInChI=1S/C7H5N5/c1-4-11-7-6(8-2-3-9-7)10-12(11)5-1/h1-5H
InChIKeyZJOGJVYZYHEBSS-UHFFFAOYSA-N
XLogP-0.57
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Pyrazolo(1,5-a)pyrimidine
CID 11636795
Pyrimidine, 4,6-bis(1H-pyrazol-1-yl)-
CID 3087487
1,2,4-Triazolo(1,5-c)pyrimidine
CID 12318765
2,6-Bis(1-pyrazolyl)pyrazine
CID 1487780
1-methyl-1H-pyrazolo(3,4-b)pyrazine
CID 59421494
5,8-Dimethyl-2-[2-(2-methyl-5-pyrazol-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 165415248
7-Aminopyrazolo(1,5-a)pyrimidine
CID 15379137
Pyrazolo(1,5-a)(1,3,5)triazine
CID 21948548
Pyrazolo(1,5-a)pyrimidin-6-amine
CID 25247836
Pyrazolo[1,5-a]pyrimidin-2-amine
CID 45602167
Pyrazolo[1,5-a]pyrimidin-5-amine
CID 55285819
5,8-dimethyl-2-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 165415450

Frequently Asked Questions

What is the IUPAC name of 2,9,12-triaza-6-azonia-7-azanidatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene?
The IUPAC name of 2,9,12-triaza-6-azonia-7-azanidatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene (CID 135016229) is 2,9,12-triaza-6-azonia-7-azanidatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene.
What is the SMILES notation for 2,9,12-triaza-6-azonia-7-azanidatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene?
The canonical SMILES for 2,9,12-triaza-6-azonia-7-azanidatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene is c1cn2c3nccnc3[n-][n+]2c1.
What is the InChIKey of 2,9,12-triaza-6-azonia-7-azanidatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene?
The InChIKey is ZJOGJVYZYHEBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5/c1-4-11-7-6(8-2-3-9-7)10-12(11)5-1/h1-5H.
What are the key properties of 2,9,12-triaza-6-azonia-7-azanidatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene?
2,9,12-triaza-6-azonia-7-azanidatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene has a molecular weight of 159.15 g/mol, XLogP of -0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9,12-triaza-6-azonia-7-azanidatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene is sourced from PubChem (CID 135016229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).