1,5,8-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene

C13H17N3 — CID 102894993

IUPAC1,5,8-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene
SMILESc1cc2c(cn1)NCC1C3CCCC3CN21
InChIInChI=1S/C13H17N3/c1-2-9-8-16-12-4-5-14-6-11(12)15-7-13(16)10(9)3-1/h4-6,9-10,13,15H,1-3,7-8H2
InChIKeyATOBJMVNTVNKPZ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.11
Rot. Bonds

About 1,5,8-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene

1,5,8-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene (PubChem CID 102894993) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1,5,8-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene.

Molecular Properties

Compound Name1,5,8-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene
PubChem CID102894993
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1,5,8-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene
SMILESc1cc2c(cn1)NCC1C3CCCC3CN21
InChIInChI=1S/C13H17N3/c1-2-9-8-16-12-4-5-14-6-11(12)15-7-13(16)10(9)3-1/h4-6,9-10,13,15H,1-3,7-8H2
InChIKeyATOBJMVNTVNKPZ-UHFFFAOYSA-N
XLogP2.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5,8-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene?
The IUPAC name of 1,5,8-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene (CID 102894993) is 1,5,8-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene.
What is the SMILES notation for 1,5,8-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene?
The canonical SMILES for 1,5,8-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene is c1cc2c(cn1)NCC1C3CCCC3CN21.
What is the InChIKey of 1,5,8-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene?
The InChIKey is ATOBJMVNTVNKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-9-8-16-12-4-5-14-6-11(12)15-7-13(16)10(9)3-1/h4-6,9-10,13,15H,1-3,7-8H2.
What are the key properties of 1,5,8-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene?
1,5,8-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene has a molecular weight of 215.30 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,8-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene is sourced from PubChem (CID 102894993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).