(13Z,15Z)-9-methyl-1,9,11-triazatricyclo[8.7.0.02,8]heptadeca-2(8),3,5,10,13,15-hexaene

C15H17N3 — CID 146531856

IUPAC(13Z,15Z)-9-methyl-1,9,11-triazatricyclo[8.7.0.02,8]heptadeca-2(8),3,5,10,13,15-hexaene
SMILESCN1C2=C(C=CC=CC2)N2C/C=C\C=C/C/N=C/12
InChIInChI=1S/C15H17N3/c1-17-13-9-5-4-6-10-14(13)18-12-8-3-2-7-11-16-15(17)18/h2-8,10H,9,11-12H2,1H3/b7-2-,8-3-,16-15-
InChIKeyKPXZMEAFVRTZFN-VCBJNQPVSA-N
MW239.32 g/mol
LogP2.44
Rot. Bonds

About (13Z,15Z)-9-methyl-1,9,11-triazatricyclo[8.7.0.02,8]heptadeca-2(8),3,5,10,13,15-hexaene

(13Z,15Z)-9-methyl-1,9,11-triazatricyclo[8.7.0.02,8]heptadeca-2(8),3,5,10,13,15-hexaene (PubChem CID 146531856) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is (13Z,15Z)-9-methyl-1,9,11-triazatricyclo[8.7.0.02,8]heptadeca-2(8),3,5,10,13,15-hexaene.

Molecular Properties

Compound Name(13Z,15Z)-9-methyl-1,9,11-triazatricyclo[8.7.0.02,8]heptadeca-2(8),3,5,10,13,15-hexaene
PubChem CID146531856
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name(13Z,15Z)-9-methyl-1,9,11-triazatricyclo[8.7.0.02,8]heptadeca-2(8),3,5,10,13,15-hexaene
SMILESCN1C2=C(C=CC=CC2)N2C/C=C\C=C/C/N=C/12
InChIInChI=1S/C15H17N3/c1-17-13-9-5-4-6-10-14(13)18-12-8-3-2-7-11-16-15(17)18/h2-8,10H,9,11-12H2,1H3/b7-2-,8-3-,16-15-
InChIKeyKPXZMEAFVRTZFN-VCBJNQPVSA-N
XLogP2.44
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (13Z,15Z)-9-methyl-1,9,11-triazatricyclo[8.7.0.02,8]heptadeca-2(8),3,5,10,13,15-hexaene?
The IUPAC name of (13Z,15Z)-9-methyl-1,9,11-triazatricyclo[8.7.0.02,8]heptadeca-2(8),3,5,10,13,15-hexaene (CID 146531856) is (13Z,15Z)-9-methyl-1,9,11-triazatricyclo[8.7.0.02,8]heptadeca-2(8),3,5,10,13,15-hexaene.
What is the SMILES notation for (13Z,15Z)-9-methyl-1,9,11-triazatricyclo[8.7.0.02,8]heptadeca-2(8),3,5,10,13,15-hexaene?
The canonical SMILES for (13Z,15Z)-9-methyl-1,9,11-triazatricyclo[8.7.0.02,8]heptadeca-2(8),3,5,10,13,15-hexaene is CN1C2=C(C=CC=CC2)N2C/C=C\C=C/C/N=C/12.
What is the InChIKey of (13Z,15Z)-9-methyl-1,9,11-triazatricyclo[8.7.0.02,8]heptadeca-2(8),3,5,10,13,15-hexaene?
The InChIKey is KPXZMEAFVRTZFN-VCBJNQPVSA-N. The full InChI is InChI=1S/C15H17N3/c1-17-13-9-5-4-6-10-14(13)18-12-8-3-2-7-11-16-15(17)18/h2-8,10H,9,11-12H2,1H3/b7-2-,8-3-,16-15-.
What are the key properties of (13Z,15Z)-9-methyl-1,9,11-triazatricyclo[8.7.0.02,8]heptadeca-2(8),3,5,10,13,15-hexaene?
(13Z,15Z)-9-methyl-1,9,11-triazatricyclo[8.7.0.02,8]heptadeca-2(8),3,5,10,13,15-hexaene has a molecular weight of 239.32 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (13Z,15Z)-9-methyl-1,9,11-triazatricyclo[8.7.0.02,8]heptadeca-2(8),3,5,10,13,15-hexaene is sourced from PubChem (CID 146531856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).