11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one

C16H15N3O — CID 687427

IUPAC11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
SMILESCc1[nH]n2c(=O)c3c(nc2c1-c1ccccc1)CCC3
InChIInChI=1S/C16H15N3O/c1-10-14(11-6-3-2-4-7-11)15-17-13-9-5-8-12(13)16(20)19(15)18-10/h2-4,6-7,18H,5,8-9H2,1H3
InChIKeyQOOXAFHBVWFPGJ-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.49
Rot. Bonds1

About 11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one

11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one (PubChem CID 687427) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one.

Molecular Properties

Compound Name11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
PubChem CID687427
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
SMILESCc1[nH]n2c(=O)c3c(nc2c1-c1ccccc1)CCC3
InChIInChI=1S/C16H15N3O/c1-10-14(11-6-3-2-4-7-11)15-17-13-9-5-8-12(13)16(20)19(15)18-10/h2-4,6-7,18H,5,8-9H2,1H3
InChIKeyQOOXAFHBVWFPGJ-UHFFFAOYSA-N
XLogP2.49
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one?
The IUPAC name of 11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one (CID 687427) is 11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one.
What is the SMILES notation for 11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one?
The canonical SMILES for 11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one is Cc1[nH]n2c(=O)c3c(nc2c1-c1ccccc1)CCC3.
What is the InChIKey of 11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one?
The InChIKey is QOOXAFHBVWFPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-10-14(11-6-3-2-4-7-11)15-17-13-9-5-8-12(13)16(20)19(15)18-10/h2-4,6-7,18H,5,8-9H2,1H3.
What are the key properties of 11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one?
11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one has a molecular weight of 265.32 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one is sourced from PubChem (CID 687427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).