2,4,8,14-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-6-carbonitrile

C11H5N5 — CID 172544365

IUPAC2,4,8,14-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-6-carbonitrile
SMILESN#Cc1cnc2nc3nccccc3nc12
InChIInChI=1S/C11H5N5/c12-5-7-6-14-11-9(7)15-8-3-1-2-4-13-10(8)16-11/h1-4,6H
InChIKeyIONDKVSNBOMERY-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.44
Rot. Bonds

About 2,4,8,14-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-6-carbonitrile

2,4,8,14-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-6-carbonitrile (PubChem CID 172544365) has the molecular formula C11H5N5 and a molecular weight of 207.20 g/mol. Its IUPAC name is 2,4,8,14-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-6-carbonitrile.

Molecular Properties

Compound Name2,4,8,14-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-6-carbonitrile
PubChem CID172544365
Molecular FormulaC11H5N5
Molecular Weight207.20 g/mol
Exact Mass207.05
IUPAC Name2,4,8,14-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-6-carbonitrile
SMILESN#Cc1cnc2nc3nccccc3nc12
InChIInChI=1S/C11H5N5/c12-5-7-6-14-11-9(7)15-8-3-1-2-4-13-10(8)16-11/h1-4,6H
InChIKeyIONDKVSNBOMERY-UHFFFAOYSA-N
XLogP1.44
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4,8,14-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-6-carbonitrile?
The IUPAC name of 2,4,8,14-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-6-carbonitrile (CID 172544365) is 2,4,8,14-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-6-carbonitrile.
What is the SMILES notation for 2,4,8,14-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-6-carbonitrile?
The canonical SMILES for 2,4,8,14-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-6-carbonitrile is N#Cc1cnc2nc3nccccc3nc12.
What is the InChIKey of 2,4,8,14-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-6-carbonitrile?
The InChIKey is IONDKVSNBOMERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5N5/c12-5-7-6-14-11-9(7)15-8-3-1-2-4-13-10(8)16-11/h1-4,6H.
What are the key properties of 2,4,8,14-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-6-carbonitrile?
2,4,8,14-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-6-carbonitrile has a molecular weight of 207.20 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8,14-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-6-carbonitrile is sourced from PubChem (CID 172544365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).