15-ethenyl-17-methylidene-2,5,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11,13,15-octaene

C17H11N3 — CID 145146490

IUPAC15-ethenyl-17-methylidene-2,5,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11,13,15-octaene
SMILESC=Cc1cccc2c1C(=C)c1nc3cnccc3nc1-2
InChIInChI=1S/C17H11N3/c1-3-11-5-4-6-12-15(11)10(2)16-17(12)19-13-7-8-18-9-14(13)20-16/h3-9H,1-2H2
InChIKeyJKLOWAHZSVJROB-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.71
Rot. Bonds1

About 15-ethenyl-17-methylidene-2,5,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11,13,15-octaene

15-ethenyl-17-methylidene-2,5,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11,13,15-octaene (PubChem CID 145146490) has the molecular formula C17H11N3 and a molecular weight of 257.30 g/mol. Its IUPAC name is 15-ethenyl-17-methylidene-2,5,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11,13,15-octaene.

Molecular Properties

Compound Name15-ethenyl-17-methylidene-2,5,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11,13,15-octaene
PubChem CID145146490
Molecular FormulaC17H11N3
Molecular Weight257.30 g/mol
Exact Mass257.10
IUPAC Name15-ethenyl-17-methylidene-2,5,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11,13,15-octaene
SMILESC=Cc1cccc2c1C(=C)c1nc3cnccc3nc1-2
InChIInChI=1S/C17H11N3/c1-3-11-5-4-6-12-15(11)10(2)16-17(12)19-13-7-8-18-9-14(13)20-16/h3-9H,1-2H2
InChIKeyJKLOWAHZSVJROB-UHFFFAOYSA-N
XLogP3.71
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 15-ethenyl-17-methylidene-2,5,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11,13,15-octaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 15-ethenyl-17-methylidene-2,5,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11,13,15-octaene?
The IUPAC name of 15-ethenyl-17-methylidene-2,5,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11,13,15-octaene (CID 145146490) is 15-ethenyl-17-methylidene-2,5,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11,13,15-octaene.
What is the SMILES notation for 15-ethenyl-17-methylidene-2,5,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11,13,15-octaene?
The canonical SMILES for 15-ethenyl-17-methylidene-2,5,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11,13,15-octaene is C=Cc1cccc2c1C(=C)c1nc3cnccc3nc1-2.
What is the InChIKey of 15-ethenyl-17-methylidene-2,5,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11,13,15-octaene?
The InChIKey is JKLOWAHZSVJROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3/c1-3-11-5-4-6-12-15(11)10(2)16-17(12)19-13-7-8-18-9-14(13)20-16/h3-9H,1-2H2.
What are the key properties of 15-ethenyl-17-methylidene-2,5,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11,13,15-octaene?
15-ethenyl-17-methylidene-2,5,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11,13,15-octaene has a molecular weight of 257.30 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-ethenyl-17-methylidene-2,5,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11,13,15-octaene is sourced from PubChem (CID 145146490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).