5-acetyl-4-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9-triene-2,6-dione

C14H15N3O3 — CID 35269310

IUPAC5-acetyl-4-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9-triene-2,6-dione
SMILESCC(=O)c1c(C)c2c(=O)n3c(nc2[nH]c1=O)CCCC3
InChIInChI=1S/C14H15N3O3/c1-7-10(8(2)18)13(19)16-12-11(7)14(20)17-6-4-3-5-9(17)15-12/h3-6H2,1-2H3,(H,16,19)
InChIKeyWVMVHUJPPBACSR-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.93
Rot. Bonds1

About 5-acetyl-4-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9-triene-2,6-dione

5-acetyl-4-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9-triene-2,6-dione (PubChem CID 35269310) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-acetyl-4-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9-triene-2,6-dione.

Molecular Properties

Compound Name5-acetyl-4-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9-triene-2,6-dione
PubChem CID35269310
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name5-acetyl-4-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9-triene-2,6-dione
SMILESCC(=O)c1c(C)c2c(=O)n3c(nc2[nH]c1=O)CCCC3
InChIInChI=1S/C14H15N3O3/c1-7-10(8(2)18)13(19)16-12-11(7)14(20)17-6-4-3-5-9(17)15-12/h3-6H2,1-2H3,(H,16,19)
InChIKeyWVMVHUJPPBACSR-UHFFFAOYSA-N
XLogP0.93
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9-triene-2,6-dione?
The IUPAC name of 5-acetyl-4-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9-triene-2,6-dione (CID 35269310) is 5-acetyl-4-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9-triene-2,6-dione.
What is the SMILES notation for 5-acetyl-4-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9-triene-2,6-dione?
The canonical SMILES for 5-acetyl-4-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9-triene-2,6-dione is CC(=O)c1c(C)c2c(=O)n3c(nc2[nH]c1=O)CCCC3.
What is the InChIKey of 5-acetyl-4-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9-triene-2,6-dione?
The InChIKey is WVMVHUJPPBACSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-7-10(8(2)18)13(19)16-12-11(7)14(20)17-6-4-3-5-9(17)15-12/h3-6H2,1-2H3,(H,16,19).
What are the key properties of 5-acetyl-4-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9-triene-2,6-dione?
5-acetyl-4-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9-triene-2,6-dione has a molecular weight of 273.29 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9-triene-2,6-dione is sourced from PubChem (CID 35269310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).