8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaene

C14H13N3 — CID 19102700

IUPAC8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaene
SMILESc1ccc2c(c1)ncc1c3c([nH]c12)CCNC3
InChIInChI=1S/C14H13N3/c1-2-4-12-9(3-1)14-11(8-16-12)10-7-15-6-5-13(10)17-14/h1-4,8,15,17H,5-7H2
InChIKeySNLHHLFCWATVJP-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.36
Rot. Bonds

About 8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaene

8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaene (PubChem CID 19102700) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaene.

Molecular Properties

Compound Name8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaene
PubChem CID19102700
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaene
SMILESc1ccc2c(c1)ncc1c3c([nH]c12)CCNC3
InChIInChI=1S/C14H13N3/c1-2-4-12-9(3-1)14-11(8-16-12)10-7-15-6-5-13(10)17-14/h1-4,8,15,17H,5-7H2
InChIKeySNLHHLFCWATVJP-UHFFFAOYSA-N
XLogP2.36
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaene?
The IUPAC name of 8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaene (CID 19102700) is 8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaene.
What is the SMILES notation for 8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaene?
The canonical SMILES for 8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaene is c1ccc2c(c1)ncc1c3c([nH]c12)CCNC3.
What is the InChIKey of 8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaene?
The InChIKey is SNLHHLFCWATVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-2-4-12-9(3-1)14-11(8-16-12)10-7-15-6-5-13(10)17-14/h1-4,8,15,17H,5-7H2.
What are the key properties of 8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaene?
8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaene has a molecular weight of 223.28 g/mol, XLogP of 2.36, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaene is sourced from PubChem (CID 19102700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).