3,8,9,11-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene

C10H6N4 — CID 70541796

IUPAC3,8,9,11-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene
SMILESc1cnc2c(c1)nnc1ncccc12
InChIInChI=1S/C10H6N4/c1-3-7-9-8(4-2-5-11-9)13-14-10(7)12-6-1/h1-6H
InChIKeySGGIYVGKKWGZGT-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.57
Rot. Bonds

About 3,8,9,11-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene

3,8,9,11-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene (PubChem CID 70541796) has the molecular formula C10H6N4 and a molecular weight of 182.19 g/mol. Its IUPAC name is 3,8,9,11-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene.

Molecular Properties

Compound Name3,8,9,11-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene
PubChem CID70541796
Molecular FormulaC10H6N4
Molecular Weight182.19 g/mol
Exact Mass182.06
IUPAC Name3,8,9,11-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene
SMILESc1cnc2c(c1)nnc1ncccc12
InChIInChI=1S/C10H6N4/c1-3-7-9-8(4-2-5-11-9)13-14-10(7)12-6-1/h1-6H
InChIKeySGGIYVGKKWGZGT-UHFFFAOYSA-N
XLogP1.57
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3,8,9,11-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene 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

quinoxalino[2,3-f][1,7]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline
CID 118008961
pyrido[2,3-c][1,5]naphthyridine
CID 44631737
ethane;6,9,15,17,22-pentazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2(7),3,5,8(13),9,11,14,16(21),17,19-undecaene
CID 145351041
ethane;pyrido[2,3-b]pyrazine
CID 91106587
6-methylpyrido[2,3-c][1,5]naphthyridine
CID 163955325
3,6,9,12,15-pentazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
CID 122642394
bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)
CID 56973553
bis(2-pyridin-2-ylpyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium
CID 76514831
5,9,15,17,22-pentazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2(7),3,5,8(13),9,11,14,16(21),17,19-undecaene
CID 168875580
2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),2,4,6,8,12,14-heptaen-10-one
CID 23119574
iridium(3+);1,5-naphthyridine
CID 175728214
7-(10-benzo[b][1,10]phenanthrolin-7-ylanthracen-9-yl)benzo[b][1,10]phenanthroline
CID 134559539

Frequently Asked Questions

What is the IUPAC name of 3,8,9,11-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene?
The IUPAC name of 3,8,9,11-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene (CID 70541796) is 3,8,9,11-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene.
What is the SMILES notation for 3,8,9,11-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene?
The canonical SMILES for 3,8,9,11-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene is c1cnc2c(c1)nnc1ncccc12.
What is the InChIKey of 3,8,9,11-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene?
The InChIKey is SGGIYVGKKWGZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4/c1-3-7-9-8(4-2-5-11-9)13-14-10(7)12-6-1/h1-6H.
What are the key properties of 3,8,9,11-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene?
3,8,9,11-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene has a molecular weight of 182.19 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8,9,11-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene is sourced from PubChem (CID 70541796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).