2,3,9-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,9-diene

C13H19N3 — CID 58823851

IUPAC2,3,9-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,9-diene
SMILESC1CC2CC3=NN4CCCCC4N=C3C2C1
InChIInChI=1S/C13H19N3/c1-2-7-16-12(6-1)14-13-10-5-3-4-9(10)8-11(13)15-16/h9-10,12H,1-8H2
InChIKeySCWPRPGKXUUZQW-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.43
Rot. Bonds

About 2,3,9-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,9-diene

2,3,9-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,9-diene (PubChem CID 58823851) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2,3,9-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,9-diene.

Molecular Properties

Compound Name2,3,9-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,9-diene
PubChem CID58823851
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2,3,9-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,9-diene
SMILESC1CC2CC3=NN4CCCCC4N=C3C2C1
InChIInChI=1S/C13H19N3/c1-2-7-16-12(6-1)14-13-10-5-3-4-9(10)8-11(13)15-16/h9-10,12H,1-8H2
InChIKeySCWPRPGKXUUZQW-UHFFFAOYSA-N
XLogP2.43
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,9-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,9-diene?
The IUPAC name of 2,3,9-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,9-diene (CID 58823851) is 2,3,9-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,9-diene.
What is the SMILES notation for 2,3,9-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,9-diene?
The canonical SMILES for 2,3,9-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,9-diene is C1CC2CC3=NN4CCCCC4N=C3C2C1.
What is the InChIKey of 2,3,9-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,9-diene?
The InChIKey is SCWPRPGKXUUZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-2-7-16-12(6-1)14-13-10-5-3-4-9(10)8-11(13)15-16/h9-10,12H,1-8H2.
What are the key properties of 2,3,9-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,9-diene?
2,3,9-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,9-diene has a molecular weight of 217.32 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,9-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,9-diene is sourced from PubChem (CID 58823851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).