8,11,18-triazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),2,14,16-tetraene

C15H19N3 — CID 141293421

IUPAC8,11,18-triazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),2,14,16-tetraene
SMILESC1=CCC2C(=C1)N=C1C=C3CCCCN3CCN12
InChIInChI=1S/C15H19N3/c1-2-7-14-13(6-1)16-15-11-12-5-3-4-8-17(12)9-10-18(14)15/h1-2,6,11,14H,3-5,7-10H2
InChIKeyUVTPMHZEBSTQPJ-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.30
Rot. Bonds

About 8,11,18-triazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),2,14,16-tetraene

8,11,18-triazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),2,14,16-tetraene (PubChem CID 141293421) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 8,11,18-triazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),2,14,16-tetraene.

Molecular Properties

Compound Name8,11,18-triazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),2,14,16-tetraene
PubChem CID141293421
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name8,11,18-triazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),2,14,16-tetraene
SMILESC1=CCC2C(=C1)N=C1C=C3CCCCN3CCN12
InChIInChI=1S/C15H19N3/c1-2-7-14-13(6-1)16-15-11-12-5-3-4-8-17(12)9-10-18(14)15/h1-2,6,11,14H,3-5,7-10H2
InChIKeyUVTPMHZEBSTQPJ-UHFFFAOYSA-N
XLogP2.30
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8,11,18-triazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),2,14,16-tetraene?
The IUPAC name of 8,11,18-triazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),2,14,16-tetraene (CID 141293421) is 8,11,18-triazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),2,14,16-tetraene.
What is the SMILES notation for 8,11,18-triazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),2,14,16-tetraene?
The canonical SMILES for 8,11,18-triazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),2,14,16-tetraene is C1=CCC2C(=C1)N=C1C=C3CCCCN3CCN12.
What is the InChIKey of 8,11,18-triazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),2,14,16-tetraene?
The InChIKey is UVTPMHZEBSTQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-7-14-13(6-1)16-15-11-12-5-3-4-8-17(12)9-10-18(14)15/h1-2,6,11,14H,3-5,7-10H2.
What are the key properties of 8,11,18-triazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),2,14,16-tetraene?
8,11,18-triazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),2,14,16-tetraene has a molecular weight of 241.34 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,11,18-triazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),2,14,16-tetraene is sourced from PubChem (CID 141293421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).