7-methyl-2,4,10,12-tetraza-6-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene

C8H8N5+ — CID 158697274

IUPAC7-methyl-2,4,10,12-tetraza-6-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene
SMILESCC1c2cncnc2-n2cnc[n+]21
InChIInChI=1S/C8H8N5/c1-6-7-2-9-3-11-8(7)13-5-10-4-12(6)13/h2-6H,1H3/q+1
InChIKeyOKMIPZDZPPNLJN-UHFFFAOYSA-N
MW174.19 g/mol
LogP-0.13
Rot. Bonds

About 7-methyl-2,4,10,12-tetraza-6-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene

7-methyl-2,4,10,12-tetraza-6-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene (PubChem CID 158697274) has the molecular formula C8H8N5+ and a molecular weight of 174.19 g/mol. Its IUPAC name is 7-methyl-2,4,10,12-tetraza-6-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene.

Molecular Properties

Compound Name7-methyl-2,4,10,12-tetraza-6-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene
PubChem CID158697274
Molecular FormulaC8H8N5+
Molecular Weight174.19 g/mol
Exact Mass174.08
IUPAC Name7-methyl-2,4,10,12-tetraza-6-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene
SMILESCC1c2cncnc2-n2cnc[n+]21
InChIInChI=1S/C8H8N5/c1-6-7-2-9-3-11-8(7)13-5-10-4-12(6)13/h2-6H,1H3/q+1
InChIKeyOKMIPZDZPPNLJN-UHFFFAOYSA-N
XLogP-0.13
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-methyl-2,4,10,12-tetraza-6-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-5-(2-methyl-1,2,4-triazol-2-ium-1-yl)pyrimidine
CID 123960520
1-(5-aminopyrimidin-4-yl)-4-methylpyrrolidin-3-ol
CID 127008831
7-methyl-2,3,9,11-tetraza-6-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene
CID 159045899
5,6-dimethyl-7-propan-2-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline
CID 138752470
5,6-dimethyl-5H-pyrrolo[2,3-d]pyrimidine
CID 162130382
N-ethyl-N-methyl-1-(5-methylpyrimidin-4-yl)azetidin-3-amine
CID 175647951
5-chloro-4-(3,5-dimethylpyrazol-1-yl)pyrimidine
CID 105370840
1-(5-chloropyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 105370258
5-bromo-4-(3-fluoroazetidin-1-yl)pyrimidine
CID 130742383
4-(4-chloro-3-methylpyrazol-1-yl)-5-iodopyrimidine
CID 66318434
4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-amine
CID 79910439
4-[5-(1,3-benzodioxol-2-yl)pyrimidin-4-yl]morpholine
CID 173140984

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,4,10,12-tetraza-6-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene?
The IUPAC name of 7-methyl-2,4,10,12-tetraza-6-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene (CID 158697274) is 7-methyl-2,4,10,12-tetraza-6-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene.
What is the SMILES notation for 7-methyl-2,4,10,12-tetraza-6-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene?
The canonical SMILES for 7-methyl-2,4,10,12-tetraza-6-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene is CC1c2cncnc2-n2cnc[n+]21.
What is the InChIKey of 7-methyl-2,4,10,12-tetraza-6-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene?
The InChIKey is OKMIPZDZPPNLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N5/c1-6-7-2-9-3-11-8(7)13-5-10-4-12(6)13/h2-6H,1H3/q+1.
What are the key properties of 7-methyl-2,4,10,12-tetraza-6-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene?
7-methyl-2,4,10,12-tetraza-6-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene has a molecular weight of 174.19 g/mol, XLogP of -0.13, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,4,10,12-tetraza-6-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene is sourced from PubChem (CID 158697274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).