ethyl 4-methyl-7-oxo-1,3,4,8,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,5,8,10-tetraene-10-carboxylate

C10H10N6O3 — CID 155815483

IUPACethyl 4-methyl-7-oxo-1,3,4,8,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,5,8,10-tetraene-10-carboxylate
SMILESCCOC(=O)c1n[nH]n2c1nc(=O)c1cn(C)nc12
InChIInChI=1S/C10H10N6O3/c1-3-19-10(18)6-8-11-9(17)5-4-15(2)13-7(5)16(8)14-12-6/h4,14H,3H2,1-2H3
InChIKeyUESSIOFAZFXAPL-UHFFFAOYSA-N
MW262.23 g/mol
LogP-0.52
Rot. Bonds2

About ethyl 4-methyl-7-oxo-1,3,4,8,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,5,8,10-tetraene-10-carboxylate

ethyl 4-methyl-7-oxo-1,3,4,8,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,5,8,10-tetraene-10-carboxylate (PubChem CID 155815483) has the molecular formula C10H10N6O3 and a molecular weight of 262.23 g/mol. Its IUPAC name is ethyl 4-methyl-7-oxo-1,3,4,8,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,5,8,10-tetraene-10-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-7-oxo-1,3,4,8,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,5,8,10-tetraene-10-carboxylate
PubChem CID155815483
Molecular FormulaC10H10N6O3
Molecular Weight262.23 g/mol
Exact Mass262.08
IUPAC Nameethyl 4-methyl-7-oxo-1,3,4,8,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,5,8,10-tetraene-10-carboxylate
SMILESCCOC(=O)c1n[nH]n2c1nc(=O)c1cn(C)nc12
InChIInChI=1S/C10H10N6O3/c1-3-19-10(18)6-8-11-9(17)5-4-15(2)13-7(5)16(8)14-12-6/h4,14H,3H2,1-2H3
InChIKeyUESSIOFAZFXAPL-UHFFFAOYSA-N
XLogP-0.52
TPSA107.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-methyl-7-oxo-1,3,4,8,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,5,8,10-tetraene-10-carboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-7-oxo-1,3,4,8,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,5,8,10-tetraene-10-carboxylate?
The IUPAC name of ethyl 4-methyl-7-oxo-1,3,4,8,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,5,8,10-tetraene-10-carboxylate (CID 155815483) is ethyl 4-methyl-7-oxo-1,3,4,8,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,5,8,10-tetraene-10-carboxylate.
What is the SMILES notation for ethyl 4-methyl-7-oxo-1,3,4,8,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,5,8,10-tetraene-10-carboxylate?
The canonical SMILES for ethyl 4-methyl-7-oxo-1,3,4,8,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,5,8,10-tetraene-10-carboxylate is CCOC(=O)c1n[nH]n2c1nc(=O)c1cn(C)nc12.
What is the InChIKey of ethyl 4-methyl-7-oxo-1,3,4,8,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,5,8,10-tetraene-10-carboxylate?
The InChIKey is UESSIOFAZFXAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O3/c1-3-19-10(18)6-8-11-9(17)5-4-15(2)13-7(5)16(8)14-12-6/h4,14H,3H2,1-2H3.
What are the key properties of ethyl 4-methyl-7-oxo-1,3,4,8,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,5,8,10-tetraene-10-carboxylate?
ethyl 4-methyl-7-oxo-1,3,4,8,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,5,8,10-tetraene-10-carboxylate has a molecular weight of 262.23 g/mol, XLogP of -0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-7-oxo-1,3,4,8,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,5,8,10-tetraene-10-carboxylate is sourced from PubChem (CID 155815483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).