16,16-dimethyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one

C15H13N3O — CID 15291364

IUPAC16,16-dimethyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one
SMILESCC1(C)c2ccccc2-c2[nH]c(=O)c3nccn3c21
InChIInChI=1S/C15H13N3O/c1-15(2)10-6-4-3-5-9(10)11-12(15)18-8-7-16-13(18)14(19)17-11/h3-8H,1-2H3,(H,17,19)
InChIKeyXDPAKVHTDDSXSY-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.33
Rot. Bonds

About 16,16-dimethyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one

16,16-dimethyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one (PubChem CID 15291364) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 16,16-dimethyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one.

Molecular Properties

Compound Name16,16-dimethyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one
PubChem CID15291364
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name16,16-dimethyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one
SMILESCC1(C)c2ccccc2-c2[nH]c(=O)c3nccn3c21
InChIInChI=1S/C15H13N3O/c1-15(2)10-6-4-3-5-9(10)11-12(15)18-8-7-16-13(18)14(19)17-11/h3-8H,1-2H3,(H,17,19)
InChIKeyXDPAKVHTDDSXSY-UHFFFAOYSA-N
XLogP2.33
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 16,16-dimethyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16,16-dimethyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one?
The IUPAC name of 16,16-dimethyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one (CID 15291364) is 16,16-dimethyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one.
What is the SMILES notation for 16,16-dimethyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one?
The canonical SMILES for 16,16-dimethyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one is CC1(C)c2ccccc2-c2[nH]c(=O)c3nccn3c21.
What is the InChIKey of 16,16-dimethyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one?
The InChIKey is XDPAKVHTDDSXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-15(2)10-6-4-3-5-9(10)11-12(15)18-8-7-16-13(18)14(19)17-11/h3-8H,1-2H3,(H,17,19).
What are the key properties of 16,16-dimethyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one?
16,16-dimethyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one has a molecular weight of 251.29 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16,16-dimethyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one is sourced from PubChem (CID 15291364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).