14-ethyl-6-methyl-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one

C14H17N3O — CID 50984225

IUPAC14-ethyl-6-methyl-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one
SMILESCCC1CC(=O)NCc2nc3c(C)cccn3c21
InChIInChI=1S/C14H17N3O/c1-3-10-7-12(18)15-8-11-13(10)17-6-4-5-9(2)14(17)16-11/h4-6,10H,3,7-8H2,1-2H3,(H,15,18)
InChIKeyBUATYSAFMYFDCD-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.16
Rot. Bonds1

About 14-ethyl-6-methyl-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one

14-ethyl-6-methyl-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one (PubChem CID 50984225) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 14-ethyl-6-methyl-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one.

Molecular Properties

Compound Name14-ethyl-6-methyl-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one
PubChem CID50984225
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name14-ethyl-6-methyl-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one
SMILESCCC1CC(=O)NCc2nc3c(C)cccn3c21
InChIInChI=1S/C14H17N3O/c1-3-10-7-12(18)15-8-11-13(10)17-6-4-5-9(2)14(17)16-11/h4-6,10H,3,7-8H2,1-2H3,(H,15,18)
InChIKeyBUATYSAFMYFDCD-UHFFFAOYSA-N
XLogP2.16
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 14-ethyl-6-methyl-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-ethyl-6-methyl-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one?
The IUPAC name of 14-ethyl-6-methyl-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one (CID 50984225) is 14-ethyl-6-methyl-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one.
What is the SMILES notation for 14-ethyl-6-methyl-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one?
The canonical SMILES for 14-ethyl-6-methyl-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one is CCC1CC(=O)NCc2nc3c(C)cccn3c21.
What is the InChIKey of 14-ethyl-6-methyl-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one?
The InChIKey is BUATYSAFMYFDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-10-7-12(18)15-8-11-13(10)17-6-4-5-9(2)14(17)16-11/h4-6,10H,3,7-8H2,1-2H3,(H,15,18).
What are the key properties of 14-ethyl-6-methyl-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one?
14-ethyl-6-methyl-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one has a molecular weight of 243.31 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-ethyl-6-methyl-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one is sourced from PubChem (CID 50984225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).