3,5,15,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

C13H8N4 — CID 142468812

IUPAC3,5,15,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESc1cnc2[nH]c3c(ccc4cncnc43)c2c1
InChIInChI=1S/C13H8N4/c1-2-10-9-4-3-8-6-14-7-16-11(8)12(9)17-13(10)15-5-1/h1-7H,(H,15,17)
InChIKeyLKGYRDNWOJWDJD-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.66
Rot. Bonds

About 3,5,15,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

3,5,15,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (PubChem CID 142468812) has the molecular formula C13H8N4 and a molecular weight of 220.24 g/mol. Its IUPAC name is 3,5,15,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.

Molecular Properties

Compound Name3,5,15,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
PubChem CID142468812
Molecular FormulaC13H8N4
Molecular Weight220.24 g/mol
Exact Mass220.07
IUPAC Name3,5,15,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESc1cnc2[nH]c3c(ccc4cncnc43)c2c1
InChIInChI=1S/C13H8N4/c1-2-10-9-4-3-8-6-14-7-16-11(8)12(9)17-13(10)15-5-1/h1-7H,(H,15,17)
InChIKeyLKGYRDNWOJWDJD-UHFFFAOYSA-N
XLogP2.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5,15,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The IUPAC name of 3,5,15,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (CID 142468812) is 3,5,15,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.
What is the SMILES notation for 3,5,15,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The canonical SMILES for 3,5,15,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is c1cnc2[nH]c3c(ccc4cncnc43)c2c1.
What is the InChIKey of 3,5,15,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The InChIKey is LKGYRDNWOJWDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4/c1-2-10-9-4-3-8-6-14-7-16-11(8)12(9)17-13(10)15-5-1/h1-7H,(H,15,17).
What are the key properties of 3,5,15,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
3,5,15,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene has a molecular weight of 220.24 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,15,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is sourced from PubChem (CID 142468812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).