10-methyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene

C17H14N2 — CID 782016

IUPAC10-methyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene
SMILESCc1ccc2c3cc(-c4ccccc4)cn3ccn12
InChIInChI=1S/C17H14N2/c1-13-7-8-16-17-11-15(14-5-3-2-4-6-14)12-18(17)9-10-19(13)16/h2-12H,1H3
InChIKeyAGOGIBZDLLYUGV-UHFFFAOYSA-N
MW246.31 g/mol
LogP4.17
Rot. Bonds1

About 10-methyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene

10-methyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene (PubChem CID 782016) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 10-methyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene.

Molecular Properties

Compound Name10-methyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene
PubChem CID782016
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name10-methyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene
SMILESCc1ccc2c3cc(-c4ccccc4)cn3ccn12
InChIInChI=1S/C17H14N2/c1-13-7-8-16-17-11-15(14-5-3-2-4-6-14)12-18(17)9-10-19(13)16/h2-12H,1H3
InChIKeyAGOGIBZDLLYUGV-UHFFFAOYSA-N
XLogP4.17
TPSA8.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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),2,4,7,10-pentaene?
The IUPAC name of 10-methyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene (CID 782016) is 10-methyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene.
What is the SMILES notation for 10-methyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene?
The canonical SMILES for 10-methyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene is Cc1ccc2c3cc(-c4ccccc4)cn3ccn12.
What is the InChIKey of 10-methyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene?
The InChIKey is AGOGIBZDLLYUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c1-13-7-8-16-17-11-15(14-5-3-2-4-6-14)12-18(17)9-10-19(13)16/h2-12H,1H3.
What are the key properties of 10-methyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene?
10-methyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene has a molecular weight of 246.31 g/mol, XLogP of 4.17, 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),2,4,7,10-pentaene is sourced from PubChem (CID 782016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).