6,7-dimethyl-5,8,15-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9-pentaene

C16H19N3 — CID 142166402

IUPAC6,7-dimethyl-5,8,15-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9-pentaene
SMILESCc1nc2c(nc1C)=CC1CC3CNCC(=C1C=2)C3
InChIInChI=1S/C16H19N3/c1-9-10(2)19-16-6-14-12(5-15(16)18-9)3-11-4-13(14)8-17-7-11/h5-6,11-12,17H,3-4,7-8H2,1-2H3
InChIKeyOXVLVABSSUKQRR-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.59
Rot. Bonds

About 6,7-dimethyl-5,8,15-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9-pentaene

6,7-dimethyl-5,8,15-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9-pentaene (PubChem CID 142166402) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 6,7-dimethyl-5,8,15-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9-pentaene.

Molecular Properties

Compound Name6,7-dimethyl-5,8,15-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9-pentaene
PubChem CID142166402
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name6,7-dimethyl-5,8,15-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9-pentaene
SMILESCc1nc2c(nc1C)=CC1CC3CNCC(=C1C=2)C3
InChIInChI=1S/C16H19N3/c1-9-10(2)19-16-6-14-12(5-15(16)18-9)3-11-4-13(14)8-17-7-11/h5-6,11-12,17H,3-4,7-8H2,1-2H3
InChIKeyOXVLVABSSUKQRR-UHFFFAOYSA-N
XLogP0.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,7-dimethyl-5,8,15-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9-pentaene with MolForge

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Related Compounds

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1,2,3,4,4a,5,6,6a-Octahydrobenzo[b][1,10]phenanthroline
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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-5,8,15-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9-pentaene?
The IUPAC name of 6,7-dimethyl-5,8,15-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9-pentaene (CID 142166402) is 6,7-dimethyl-5,8,15-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9-pentaene.
What is the SMILES notation for 6,7-dimethyl-5,8,15-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9-pentaene?
The canonical SMILES for 6,7-dimethyl-5,8,15-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9-pentaene is Cc1nc2c(nc1C)=CC1CC3CNCC(=C1C=2)C3.
What is the InChIKey of 6,7-dimethyl-5,8,15-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9-pentaene?
The InChIKey is OXVLVABSSUKQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-9-10(2)19-16-6-14-12(5-15(16)18-9)3-11-4-13(14)8-17-7-11/h5-6,11-12,17H,3-4,7-8H2,1-2H3.
What are the key properties of 6,7-dimethyl-5,8,15-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9-pentaene?
6,7-dimethyl-5,8,15-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9-pentaene has a molecular weight of 253.35 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-5,8,15-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-1,3,5,7,9-pentaene is sourced from PubChem (CID 142166402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).