3,10,12,14-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1,3,5,7,9,11,13,15-octaene

C12H6N4 — CID 69176447

IUPAC3,10,12,14-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1,3,5,7,9,11,13,15-octaene
SMILESC1=Nc2cc3c4c(ccc3nc2=N1)=CC=N4
InChIInChI=1S/C12H6N4/c1-2-9-8(11-7(1)3-4-13-11)5-10-12(16-9)15-6-14-10/h1-6H
InChIKeyAMBZNXNKAKZDHN-UHFFFAOYSA-N
MW206.21 g/mol
LogP1.02
Rot. Bonds

About 3,10,12,14-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1,3,5,7,9,11,13,15-octaene

3,10,12,14-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1,3,5,7,9,11,13,15-octaene (PubChem CID 69176447) has the molecular formula C12H6N4 and a molecular weight of 206.21 g/mol. Its IUPAC name is 3,10,12,14-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1,3,5,7,9,11,13,15-octaene.

Molecular Properties

Compound Name3,10,12,14-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1,3,5,7,9,11,13,15-octaene
PubChem CID69176447
Molecular FormulaC12H6N4
Molecular Weight206.21 g/mol
Exact Mass206.06
IUPAC Name3,10,12,14-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1,3,5,7,9,11,13,15-octaene
SMILESC1=Nc2cc3c4c(ccc3nc2=N1)=CC=N4
InChIInChI=1S/C12H6N4/c1-2-9-8(11-7(1)3-4-13-11)5-10-12(16-9)15-6-14-10/h1-6H
InChIKeyAMBZNXNKAKZDHN-UHFFFAOYSA-N
XLogP1.02
TPSA49.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,10,12,14-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1,3,5,7,9,11,13,15-octaene?
The IUPAC name of 3,10,12,14-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1,3,5,7,9,11,13,15-octaene (CID 69176447) is 3,10,12,14-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1,3,5,7,9,11,13,15-octaene.
What is the SMILES notation for 3,10,12,14-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1,3,5,7,9,11,13,15-octaene?
The canonical SMILES for 3,10,12,14-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1,3,5,7,9,11,13,15-octaene is C1=Nc2cc3c4c(ccc3nc2=N1)=CC=N4.
What is the InChIKey of 3,10,12,14-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1,3,5,7,9,11,13,15-octaene?
The InChIKey is AMBZNXNKAKZDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N4/c1-2-9-8(11-7(1)3-4-13-11)5-10-12(16-9)15-6-14-10/h1-6H.
What are the key properties of 3,10,12,14-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1,3,5,7,9,11,13,15-octaene?
3,10,12,14-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1,3,5,7,9,11,13,15-octaene has a molecular weight of 206.21 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10,12,14-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1,3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 69176447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).