(2Z)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),2,15,17-tetraene

C16H21N3 — CID 141293430

IUPAC(2Z)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),2,15,17-tetraene
SMILESC1=CCC2C(=C1)N=C1/C=C3/CCCCN3CCCN12
InChIInChI=1S/C16H21N3/c1-2-8-15-14(7-1)17-16-12-13-6-3-4-9-18(13)10-5-11-19(15)16/h1-2,7,12,15H,3-6,8-11H2/b13-12-
InChIKeyXNOVKQDDKCWBGL-SEYXRHQNSA-N
MW255.36 g/mol
LogP2.69
Rot. Bonds

About (2Z)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),2,15,17-tetraene

(2Z)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),2,15,17-tetraene (PubChem CID 141293430) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (2Z)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),2,15,17-tetraene.

Molecular Properties

Compound Name(2Z)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),2,15,17-tetraene
PubChem CID141293430
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name(2Z)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),2,15,17-tetraene
SMILESC1=CCC2C(=C1)N=C1/C=C3/CCCCN3CCCN12
InChIInChI=1S/C16H21N3/c1-2-8-15-14(7-1)17-16-12-13-6-3-4-9-18(13)10-5-11-19(15)16/h1-2,7,12,15H,3-6,8-11H2/b13-12-
InChIKeyXNOVKQDDKCWBGL-SEYXRHQNSA-N
XLogP2.69
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2Z)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),2,15,17-tetraene with MolForge

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

Launch Full Analysis

Related Compounds

3-(Cyclohexen-1-yl)-2-methyl-3a,4,5,7a-tetrahydrobenzimidazole
CID 71018226
8,11,18-Triazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),2,14,16-tetraene
CID 141293421
(2Z)-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),2,14,16-tetraene
CID 141293424
1,6-Dimethyl-2-[(4-methylidenepiperidin-1-yl)methyl]-5,6-dihydrobenzimidazole
CID 143552600

Frequently Asked Questions

What is the IUPAC name of (2Z)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),2,15,17-tetraene?
The IUPAC name of (2Z)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),2,15,17-tetraene (CID 141293430) is (2Z)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),2,15,17-tetraene.
What is the SMILES notation for (2Z)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),2,15,17-tetraene?
The canonical SMILES for (2Z)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),2,15,17-tetraene is C1=CCC2C(=C1)N=C1/C=C3/CCCCN3CCCN12.
What is the InChIKey of (2Z)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),2,15,17-tetraene?
The InChIKey is XNOVKQDDKCWBGL-SEYXRHQNSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-8-15-14(7-1)17-16-12-13-6-3-4-9-18(13)10-5-11-19(15)16/h1-2,7,12,15H,3-6,8-11H2/b13-12-.
What are the key properties of (2Z)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),2,15,17-tetraene?
(2Z)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),2,15,17-tetraene has a molecular weight of 255.36 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),2,15,17-tetraene is sourced from PubChem (CID 141293430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).