2,5,6,10,11-pentazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene

C9H5N5 — CID 90269055

IUPAC2,5,6,10,11-pentazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene
SMILESc1cnnc2cc3nncc3nc2c1
InChIInChI=1S/C9H5N5/c1-2-6-7(13-10-3-1)4-8-9(12-6)5-11-14-8/h1-5H
InChIKeyLIXRXUVSRGSJTF-UHFFFAOYSA-N
MW183.17 g/mol
LogP0.97
Rot. Bonds

About 2,5,6,10,11-pentazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene

2,5,6,10,11-pentazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene (PubChem CID 90269055) has the molecular formula C9H5N5 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2,5,6,10,11-pentazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene.

Molecular Properties

Compound Name2,5,6,10,11-pentazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene
PubChem CID90269055
Molecular FormulaC9H5N5
Molecular Weight183.17 g/mol
Exact Mass183.05
IUPAC Name2,5,6,10,11-pentazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene
SMILESc1cnnc2cc3nncc3nc2c1
InChIInChI=1S/C9H5N5/c1-2-6-7(13-10-3-1)4-8-9(12-6)5-11-14-8/h1-5H
InChIKeyLIXRXUVSRGSJTF-UHFFFAOYSA-N
XLogP0.97
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5,6,10,11-pentazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene?
The IUPAC name of 2,5,6,10,11-pentazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene (CID 90269055) is 2,5,6,10,11-pentazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene.
What is the SMILES notation for 2,5,6,10,11-pentazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene?
The canonical SMILES for 2,5,6,10,11-pentazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene is c1cnnc2cc3nncc3nc2c1.
What is the InChIKey of 2,5,6,10,11-pentazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene?
The InChIKey is LIXRXUVSRGSJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N5/c1-2-6-7(13-10-3-1)4-8-9(12-6)5-11-14-8/h1-5H.
What are the key properties of 2,5,6,10,11-pentazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene?
2,5,6,10,11-pentazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene has a molecular weight of 183.17 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6,10,11-pentazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene is sourced from PubChem (CID 90269055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).