(2Z)-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),2,14,16-tetraene

C15H19N3 — CID 141293424

IUPAC(2Z)-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),2,14,16-tetraene
SMILESC1=CCC2C(=C1)N=C1/C=C3/CCCN3CCCN12
InChIInChI=1S/C15H19N3/c1-2-7-14-13(6-1)16-15-11-12-5-3-8-17(12)9-4-10-18(14)15/h1-2,6,11,14H,3-5,7-10H2/b12-11-
InChIKeyCSTDZGMDIMEZFJ-QXMHVHEDSA-N
MW241.34 g/mol
LogP2.30
Rot. Bonds

About (2Z)-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),2,14,16-tetraene

(2Z)-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),2,14,16-tetraene (PubChem CID 141293424) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is (2Z)-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),2,14,16-tetraene.

Molecular Properties

Compound Name(2Z)-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),2,14,16-tetraene
PubChem CID141293424
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name(2Z)-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),2,14,16-tetraene
SMILESC1=CCC2C(=C1)N=C1/C=C3/CCCN3CCCN12
InChIInChI=1S/C15H19N3/c1-2-7-14-13(6-1)16-15-11-12-5-3-8-17(12)9-4-10-18(14)15/h1-2,6,11,14H,3-5,7-10H2/b12-11-
InChIKeyCSTDZGMDIMEZFJ-QXMHVHEDSA-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

Analyze (2Z)-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),2,14,16-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z)-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),2,14,16-tetraene?
The IUPAC name of (2Z)-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),2,14,16-tetraene (CID 141293424) is (2Z)-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),2,14,16-tetraene.
What is the SMILES notation for (2Z)-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),2,14,16-tetraene?
The canonical SMILES for (2Z)-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),2,14,16-tetraene is C1=CCC2C(=C1)N=C1/C=C3/CCCN3CCCN12.
What is the InChIKey of (2Z)-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),2,14,16-tetraene?
The InChIKey is CSTDZGMDIMEZFJ-QXMHVHEDSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-7-14-13(6-1)16-15-11-12-5-3-8-17(12)9-4-10-18(14)15/h1-2,6,11,14H,3-5,7-10H2/b12-11-.
What are the key properties of (2Z)-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),2,14,16-tetraene?
(2Z)-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]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 (2Z)-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),2,14,16-tetraene is sourced from PubChem (CID 141293424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).