ethyl 5-oxo-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate

C12H11N3O3 — CID 103200797

IUPACethyl 5-oxo-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate
SMILESCCOC(=O)c1cn2c3c(cnc2n1)C(=O)CC3
InChIInChI=1S/C12H11N3O3/c1-2-18-11(17)8-6-15-9-3-4-10(16)7(9)5-13-12(15)14-8/h5-6H,2-4H2,1H3
InChIKeyBNRSPBNYSFTLAL-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.03
Rot. Bonds2

About ethyl 5-oxo-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate

ethyl 5-oxo-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate (PubChem CID 103200797) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is ethyl 5-oxo-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate.

Molecular Properties

Compound Nameethyl 5-oxo-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate
PubChem CID103200797
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Nameethyl 5-oxo-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate
SMILESCCOC(=O)c1cn2c3c(cnc2n1)C(=O)CC3
InChIInChI=1S/C12H11N3O3/c1-2-18-11(17)8-6-15-9-3-4-10(16)7(9)5-13-12(15)14-8/h5-6H,2-4H2,1H3
InChIKeyBNRSPBNYSFTLAL-UHFFFAOYSA-N
XLogP1.03
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 5-oxo-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate with MolForge

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Related Compounds

ethyl 1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate
CID 103200745
ethyl 5-phenylimidazo[1,2-a]pyrimidine-2-carboxylate
CID 103200747
CID 156642699
CID 156642699
CID 156642698
CID 156642698
ethyl 6-(aminomethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate
CID 103200782
ethyl 6-ethyl-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate
CID 103200773
ethyl 5-(2,5-dimethylfuran-3-yl)imidazo[1,2-a]pyrimidine-2-carboxylate
CID 103200741
ethyl 5-(5-methylthiophen-2-yl)imidazo[1,2-a]pyrimidine-2-carboxylate
CID 103200760
ethyl 7-methyl-5H-imidazo[1,2-b]pyrazole-2-carboxylate
CID 82590214
ethyl 7-chloro-5-oxo-6H-imidazo[1,2-c]pyrimidine-2-carboxylate
CID 118992764
ethyl 6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylate
CID 131439618
ethyl 6-(ethylaminomethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 114514786

Frequently Asked Questions

What is the IUPAC name of ethyl 5-oxo-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate?
The IUPAC name of ethyl 5-oxo-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate (CID 103200797) is ethyl 5-oxo-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate.
What is the SMILES notation for ethyl 5-oxo-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate?
The canonical SMILES for ethyl 5-oxo-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate is CCOC(=O)c1cn2c3c(cnc2n1)C(=O)CC3.
What is the InChIKey of ethyl 5-oxo-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate?
The InChIKey is BNRSPBNYSFTLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-2-18-11(17)8-6-15-9-3-4-10(16)7(9)5-13-12(15)14-8/h5-6H,2-4H2,1H3.
What are the key properties of ethyl 5-oxo-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate?
ethyl 5-oxo-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate has a molecular weight of 245.24 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-oxo-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate is sourced from PubChem (CID 103200797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).