8,12,14,16-tetrazatetracyclo[9.5.1.02,7.014,17]heptadeca-1,3,5,7,9,11(17),12,15-octaene

C13H8N4 — CID 91583925

IUPAC8,12,14,16-tetrazatetracyclo[9.5.1.02,7.014,17]heptadeca-1,3,5,7,9,11(17),12,15-octaene
SMILESC1=Cc2ncn3cnc(c23)=c2cccc/c2=N/1
InChIInChI=1S/C13H8N4/c1-2-4-10-9(3-1)12-13-11(5-6-14-10)15-7-17(13)8-16-12/h1-8H/b6-5?,11-5?,12-9?,14-6?,14-10-
InChIKeyKDUAMGBFAIZSGQ-QFVCZJOISA-N
MW220.24 g/mol
LogP1.34
Rot. Bonds

About 8,12,14,16-tetrazatetracyclo[9.5.1.02,7.014,17]heptadeca-1,3,5,7,9,11(17),12,15-octaene

8,12,14,16-tetrazatetracyclo[9.5.1.02,7.014,17]heptadeca-1,3,5,7,9,11(17),12,15-octaene (PubChem CID 91583925) has the molecular formula C13H8N4 and a molecular weight of 220.24 g/mol. Its IUPAC name is 8,12,14,16-tetrazatetracyclo[9.5.1.02,7.014,17]heptadeca-1,3,5,7,9,11(17),12,15-octaene.

Molecular Properties

Compound Name8,12,14,16-tetrazatetracyclo[9.5.1.02,7.014,17]heptadeca-1,3,5,7,9,11(17),12,15-octaene
PubChem CID91583925
Molecular FormulaC13H8N4
Molecular Weight220.24 g/mol
Exact Mass220.07
IUPAC Name8,12,14,16-tetrazatetracyclo[9.5.1.02,7.014,17]heptadeca-1,3,5,7,9,11(17),12,15-octaene
SMILESC1=Cc2ncn3cnc(c23)=c2cccc/c2=N/1
InChIInChI=1S/C13H8N4/c1-2-4-10-9(3-1)12-13-11(5-6-14-10)15-7-17(13)8-16-12/h1-8H/b6-5?,11-5?,12-9?,14-6?,14-10-
InChIKeyKDUAMGBFAIZSGQ-QFVCZJOISA-N
XLogP1.34
TPSA42.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8,12,14,16-tetrazatetracyclo[9.5.1.02,7.014,17]heptadeca-1,3,5,7,9,11(17),12,15-octaene 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

(3Z,13Z)-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene
CID 5377570
2-phenylazete
CID 91343719
indeno[2,1-f]quinolin-1-one
CID 154129732
1-benzothiophene;pyrrolo[3,2-a]carbazole
CID 175254659
8,10,23,25-tetrazapentacyclo[24.4.0.02,7.011,16.017,22]triaconta-1,3,5,7,10,12,14,16,18,20,22,25,27,29-tetradecaene-9,24-dithione
CID 85284439
(4aZ,6E,10aZ,12E)-6,12-dichlorobenzo[c][1,5]benzodiazocine
CID 15961548
1,4-benzodiazepin-4-amine;hydrochloride
CID 69060668
imidazo[4,5-c]quinoline-4-thione
CID 18994621
iridium;2-methylidenebenzimidazole
CID 173124515
(4aZ,6E,10aZ,12Z)-6-chlorobenzo[c][1]benzazocine
CID 25035203
1-(4-imidazo[1,5-a]pyridin-1-ylphenyl)imidazo[1,5-a]pyridine
CID 4702100
azete-2-carbaldehyde;iodobenzene
CID 175694027

Frequently Asked Questions

What is the IUPAC name of 8,12,14,16-tetrazatetracyclo[9.5.1.02,7.014,17]heptadeca-1,3,5,7,9,11(17),12,15-octaene?
The IUPAC name of 8,12,14,16-tetrazatetracyclo[9.5.1.02,7.014,17]heptadeca-1,3,5,7,9,11(17),12,15-octaene (CID 91583925) is 8,12,14,16-tetrazatetracyclo[9.5.1.02,7.014,17]heptadeca-1,3,5,7,9,11(17),12,15-octaene.
What is the SMILES notation for 8,12,14,16-tetrazatetracyclo[9.5.1.02,7.014,17]heptadeca-1,3,5,7,9,11(17),12,15-octaene?
The canonical SMILES for 8,12,14,16-tetrazatetracyclo[9.5.1.02,7.014,17]heptadeca-1,3,5,7,9,11(17),12,15-octaene is C1=Cc2ncn3cnc(c23)=c2cccc/c2=N/1.
What is the InChIKey of 8,12,14,16-tetrazatetracyclo[9.5.1.02,7.014,17]heptadeca-1,3,5,7,9,11(17),12,15-octaene?
The InChIKey is KDUAMGBFAIZSGQ-QFVCZJOISA-N. The full InChI is InChI=1S/C13H8N4/c1-2-4-10-9(3-1)12-13-11(5-6-14-10)15-7-17(13)8-16-12/h1-8H/b6-5?,11-5?,12-9?,14-6?,14-10-.
What are the key properties of 8,12,14,16-tetrazatetracyclo[9.5.1.02,7.014,17]heptadeca-1,3,5,7,9,11(17),12,15-octaene?
8,12,14,16-tetrazatetracyclo[9.5.1.02,7.014,17]heptadeca-1,3,5,7,9,11(17),12,15-octaene has a molecular weight of 220.24 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,12,14,16-tetrazatetracyclo[9.5.1.02,7.014,17]heptadeca-1,3,5,7,9,11(17),12,15-octaene is sourced from PubChem (CID 91583925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).