4,6,8,11-tetrazatricyclo[7.5.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene

C10H6N4 — CID 175745072

IUPAC4,6,8,11-tetrazatricyclo[7.5.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene
SMILESc1cncc2nc3ncncc3c-2c1
InChIInChI=1S/C10H6N4/c1-2-7-8-4-12-6-13-10(8)14-9(7)5-11-3-1/h1-6H
InChIKeyFLMTUCNDPSCKHV-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.52
Rot. Bonds

About 4,6,8,11-tetrazatricyclo[7.5.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene

4,6,8,11-tetrazatricyclo[7.5.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene (PubChem CID 175745072) has the molecular formula C10H6N4 and a molecular weight of 182.19 g/mol. Its IUPAC name is 4,6,8,11-tetrazatricyclo[7.5.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene.

Molecular Properties

Compound Name4,6,8,11-tetrazatricyclo[7.5.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene
PubChem CID175745072
Molecular FormulaC10H6N4
Molecular Weight182.19 g/mol
Exact Mass182.06
IUPAC Name4,6,8,11-tetrazatricyclo[7.5.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene
SMILESc1cncc2nc3ncncc3c-2c1
InChIInChI=1S/C10H6N4/c1-2-7-8-4-12-6-13-10(8)14-9(7)5-11-3-1/h1-6H
InChIKeyFLMTUCNDPSCKHV-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,6,8,11-tetrazatricyclo[7.5.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene with MolForge

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Related Compounds

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CID 169050404
pyrido[4,3-h]quinazoline
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7-naphthalen-1-ylpyrido[4,3-d]pyrimidine
CID 168908169
2-(2-fluorophenyl)-4-(8-methoxyisoquinolin-5-yl)-1,8-naphthyridine
CID 56591860
6-(2-iodophenyl)pyrido[2,3-d]pyrimidin-7-amine
CID 12904755
3-phenyl-7-pyridin-3-ylpyrido[2,3-b]pyrazine
CID 72544350
3-bromopyridine
CID 143579676
5-pyrimidin-5-ylisoquinoline
CID 141337488
N-ethyl-6-isoquinolin-8-ylpyrimidin-4-amine
CID 103144332
8-(6-chloropyrazin-2-yl)quinoline
CID 77230241

Frequently Asked Questions

What is the IUPAC name of 4,6,8,11-tetrazatricyclo[7.5.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene?
The IUPAC name of 4,6,8,11-tetrazatricyclo[7.5.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene (CID 175745072) is 4,6,8,11-tetrazatricyclo[7.5.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene.
What is the SMILES notation for 4,6,8,11-tetrazatricyclo[7.5.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene?
The canonical SMILES for 4,6,8,11-tetrazatricyclo[7.5.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene is c1cncc2nc3ncncc3c-2c1.
What is the InChIKey of 4,6,8,11-tetrazatricyclo[7.5.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene?
The InChIKey is FLMTUCNDPSCKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4/c1-2-7-8-4-12-6-13-10(8)14-9(7)5-11-3-1/h1-6H.
What are the key properties of 4,6,8,11-tetrazatricyclo[7.5.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene?
4,6,8,11-tetrazatricyclo[7.5.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene has a molecular weight of 182.19 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,8,11-tetrazatricyclo[7.5.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene is sourced from PubChem (CID 175745072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).