11-hydroxy-5-methyl-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one

C12H13N3O2 — CID 77134861

IUPAC11-hydroxy-5-methyl-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
SMILESCN1CCc2nc3c(O)cccn3c(=O)c2C1
InChIInChI=1S/C12H13N3O2/c1-14-6-4-9-8(7-14)12(17)15-5-2-3-10(16)11(15)13-9/h2-3,5,16H,4,6-7H2,1H3
InChIKeyFARGOMFTZYMPLW-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.39
Rot. Bonds

About 11-hydroxy-5-methyl-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one

11-hydroxy-5-methyl-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one (PubChem CID 77134861) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 11-hydroxy-5-methyl-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one.

Molecular Properties

Compound Name11-hydroxy-5-methyl-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
PubChem CID77134861
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name11-hydroxy-5-methyl-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
SMILESCN1CCc2nc3c(O)cccn3c(=O)c2C1
InChIInChI=1S/C12H13N3O2/c1-14-6-4-9-8(7-14)12(17)15-5-2-3-10(16)11(15)13-9/h2-3,5,16H,4,6-7H2,1H3
InChIKeyFARGOMFTZYMPLW-UHFFFAOYSA-N
XLogP0.39
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 11-hydroxy-5-methyl-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one?
The IUPAC name of 11-hydroxy-5-methyl-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one (CID 77134861) is 11-hydroxy-5-methyl-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one.
What is the SMILES notation for 11-hydroxy-5-methyl-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one?
The canonical SMILES for 11-hydroxy-5-methyl-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one is CN1CCc2nc3c(O)cccn3c(=O)c2C1.
What is the InChIKey of 11-hydroxy-5-methyl-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one?
The InChIKey is FARGOMFTZYMPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-14-6-4-9-8(7-14)12(17)15-5-2-3-10(16)11(15)13-9/h2-3,5,16H,4,6-7H2,1H3.
What are the key properties of 11-hydroxy-5-methyl-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one?
11-hydroxy-5-methyl-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one has a molecular weight of 231.25 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxy-5-methyl-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one is sourced from PubChem (CID 77134861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).