10-methyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene

C17H16N2 — CID 772855

IUPAC10-methyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
SMILESCc1ccc2n1CCn1cc(-c3ccccc3)cc1-2
InChIInChI=1S/C17H16N2/c1-13-7-8-16-17-11-15(14-5-3-2-4-6-14)12-18(17)9-10-19(13)16/h2-8,11-12H,9-10H2,1H3
InChIKeyXFWGMTLKQVGHBM-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.95
Rot. Bonds1

About 10-methyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene

10-methyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene (PubChem CID 772855) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 10-methyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene.

Molecular Properties

Compound Name10-methyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
PubChem CID772855
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name10-methyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
SMILESCc1ccc2n1CCn1cc(-c3ccccc3)cc1-2
InChIInChI=1S/C17H16N2/c1-13-7-8-16-17-11-15(14-5-3-2-4-6-14)12-18(17)9-10-19(13)16/h2-8,11-12H,9-10H2,1H3
InChIKeyXFWGMTLKQVGHBM-UHFFFAOYSA-N
XLogP3.95
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
The IUPAC name of 10-methyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene (CID 772855) is 10-methyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene.
What is the SMILES notation for 10-methyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
The canonical SMILES for 10-methyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene is Cc1ccc2n1CCn1cc(-c3ccccc3)cc1-2.
What is the InChIKey of 10-methyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
The InChIKey is XFWGMTLKQVGHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-13-7-8-16-17-11-15(14-5-3-2-4-6-14)12-18(17)9-10-19(13)16/h2-8,11-12H,9-10H2,1H3.
What are the key properties of 10-methyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
10-methyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene has a molecular weight of 248.33 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene is sourced from PubChem (CID 772855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).