1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene

C9H6N6 — CID 607733

IUPAC1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene
SMILESc1cn2c(n1)n1ccnc1n1ccnc21
InChIInChI=1S/C9H6N6/c1-4-13-7(10-1)14-5-2-12-9(14)15-6-3-11-8(13)15/h1-6H
InChIKeyGWXRJGFFALNKQN-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.63
Rot. Bonds

About 1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene

1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene (PubChem CID 607733) has the molecular formula C9H6N6 and a molecular weight of 198.19 g/mol. Its IUPAC name is 1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene.

Molecular Properties

Compound Name1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene
PubChem CID607733
Molecular FormulaC9H6N6
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene
SMILESc1cn2c(n1)n1ccnc1n1ccnc21
InChIInChI=1S/C9H6N6/c1-4-13-7(10-1)14-5-2-12-9(14)15-6-3-11-8(13)15/h1-6H
InChIKeyGWXRJGFFALNKQN-UHFFFAOYSA-N
XLogP0.63
TPSA51.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene with MolForge

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Related Compounds

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CID 2998775
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2,4,6-Tri(1H-imidazol-1-yl)-1,3,5-triazine
CID 15506144
3-Imidazol-1-ylimidazo[1,2-b][1,2,4,5]tetrazine
CID 153912220
2-N,N-Dimethylamino-4,6-bis(1-H-imidazol-1-yl)-1,3,5-triazine
CID 127869
Tris(imidazol-1-yl)phosphine
CID 194555
Imidazo[1,2-a][1,3,5]triazine
CID 19734140
1-(2-Imidazol-1-ylethyl)imidazole
CID 5324087
1-Methyl-3-[(3-methylimidazol-3-ium-1-yl)methyl]imidazol-1-ium
CID 10862945
1-(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine
CID 12147481
2,2',2''-Phosphanetriyltris(1-methyl-1H-imidazole)
CID 12934587
3,6-Bis(imidazol-1-yl)-1,2,4,5-tetrazine
CID 86101895

Frequently Asked Questions

What is the IUPAC name of 1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene?
The IUPAC name of 1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene (CID 607733) is 1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene.
What is the SMILES notation for 1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene?
The canonical SMILES for 1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene is c1cn2c(n1)n1ccnc1n1ccnc21.
What is the InChIKey of 1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene?
The InChIKey is GWXRJGFFALNKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N6/c1-4-13-7(10-1)14-5-2-12-9(14)15-6-3-11-8(13)15/h1-6H.
What are the key properties of 1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene?
1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene has a molecular weight of 198.19 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene is sourced from PubChem (CID 607733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).