4,6,8,10-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,12,14,16-heptaene

C13H10N4 — CID 149254004

IUPAC4,6,8,10-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,12,14,16-heptaene
SMILESC1=CC2=CC3=C4CN=CN=C4N=CN3C2C=C1
InChIInChI=1S/C13H10N4/c1-2-4-11-9(3-1)5-12-10-6-14-7-15-13(10)16-8-17(11)12/h1-5,7-8,11H,6H2
InChIKeyXHJYUPMOACODQB-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.46
Rot. Bonds

About 4,6,8,10-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,12,14,16-heptaene

4,6,8,10-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,12,14,16-heptaene (PubChem CID 149254004) has the molecular formula C13H10N4 and a molecular weight of 222.25 g/mol. Its IUPAC name is 4,6,8,10-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,12,14,16-heptaene.

Molecular Properties

Compound Name4,6,8,10-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,12,14,16-heptaene
PubChem CID149254004
Molecular FormulaC13H10N4
Molecular Weight222.25 g/mol
Exact Mass222.09
IUPAC Name4,6,8,10-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,12,14,16-heptaene
SMILESC1=CC2=CC3=C4CN=CN=C4N=CN3C2C=C1
InChIInChI=1S/C13H10N4/c1-2-4-11-9(3-1)5-12-10-6-14-7-15-13(10)16-8-17(11)12/h1-5,7-8,11H,6H2
InChIKeyXHJYUPMOACODQB-UHFFFAOYSA-N
XLogP1.46
TPSA40.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6,8,10-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,12,14,16-heptaene?
The IUPAC name of 4,6,8,10-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,12,14,16-heptaene (CID 149254004) is 4,6,8,10-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,12,14,16-heptaene.
What is the SMILES notation for 4,6,8,10-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,12,14,16-heptaene?
The canonical SMILES for 4,6,8,10-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,12,14,16-heptaene is C1=CC2=CC3=C4CN=CN=C4N=CN3C2C=C1.
What is the InChIKey of 4,6,8,10-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,12,14,16-heptaene?
The InChIKey is XHJYUPMOACODQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4/c1-2-4-11-9(3-1)5-12-10-6-14-7-15-13(10)16-8-17(11)12/h1-5,7-8,11H,6H2.
What are the key properties of 4,6,8,10-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,12,14,16-heptaene?
4,6,8,10-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,12,14,16-heptaene has a molecular weight of 222.25 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,8,10-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,12,14,16-heptaene is sourced from PubChem (CID 149254004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).