13-amino-8,12,16,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene-14,15-dicarbonitrile

C15H7N7 — CID 10613115

IUPAC13-amino-8,12,16,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene-14,15-dicarbonitrile
SMILESN#Cc1c(N)nc2c3cnc4ccccc4c3nn2c1C#N
InChIInChI=1S/C15H7N7/c16-5-9-12(6-17)22-15(20-14(9)18)10-7-19-11-4-2-1-3-8(11)13(10)21-22/h1-4,7H,(H2,18,20)
InChIKeyAKNMSMBAWVPZDF-UHFFFAOYSA-N
MW285.27 g/mol
LogP1.76
Rot. Bonds

About 13-amino-8,12,16,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene-14,15-dicarbonitrile

13-amino-8,12,16,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene-14,15-dicarbonitrile (PubChem CID 10613115) has the molecular formula C15H7N7 and a molecular weight of 285.27 g/mol. Its IUPAC name is 13-amino-8,12,16,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene-14,15-dicarbonitrile.

Molecular Properties

Compound Name13-amino-8,12,16,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene-14,15-dicarbonitrile
PubChem CID10613115
Molecular FormulaC15H7N7
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name13-amino-8,12,16,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene-14,15-dicarbonitrile
SMILESN#Cc1c(N)nc2c3cnc4ccccc4c3nn2c1C#N
InChIInChI=1S/C15H7N7/c16-5-9-12(6-17)22-15(20-14(9)18)10-7-19-11-4-2-1-3-8(11)13(10)21-22/h1-4,7H,(H2,18,20)
InChIKeyAKNMSMBAWVPZDF-UHFFFAOYSA-N
XLogP1.76
TPSA116.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 13-amino-8,12,16,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene-14,15-dicarbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13-amino-8,12,16,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene-14,15-dicarbonitrile?
The IUPAC name of 13-amino-8,12,16,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene-14,15-dicarbonitrile (CID 10613115) is 13-amino-8,12,16,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene-14,15-dicarbonitrile.
What is the SMILES notation for 13-amino-8,12,16,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene-14,15-dicarbonitrile?
The canonical SMILES for 13-amino-8,12,16,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene-14,15-dicarbonitrile is N#Cc1c(N)nc2c3cnc4ccccc4c3nn2c1C#N.
What is the InChIKey of 13-amino-8,12,16,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene-14,15-dicarbonitrile?
The InChIKey is AKNMSMBAWVPZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7N7/c16-5-9-12(6-17)22-15(20-14(9)18)10-7-19-11-4-2-1-3-8(11)13(10)21-22/h1-4,7H,(H2,18,20).
What are the key properties of 13-amino-8,12,16,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene-14,15-dicarbonitrile?
13-amino-8,12,16,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene-14,15-dicarbonitrile has a molecular weight of 285.27 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 13-amino-8,12,16,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene-14,15-dicarbonitrile is sourced from PubChem (CID 10613115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).