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

C12H13N3O2 — CID 103200745

IUPACethyl 1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate
SMILESCCOC(=O)c1cn2c3c(cnc2n1)CCC3
InChIInChI=1S/C12H13N3O2/c1-2-17-11(16)9-7-15-10-5-3-4-8(10)6-13-12(15)14-9/h6-7H,2-5H2,1H3
InChIKeyJMDXBWGYCRXODM-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.39
Rot. Bonds2

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

ethyl 1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate (PubChem CID 103200745) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is ethyl 1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate.

Molecular Properties

Compound Nameethyl 1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate
PubChem CID103200745
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Nameethyl 1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate
SMILESCCOC(=O)c1cn2c3c(cnc2n1)CCC3
InChIInChI=1S/C12H13N3O2/c1-2-17-11(16)9-7-15-10-5-3-4-8(10)6-13-12(15)14-9/h6-7H,2-5H2,1H3
InChIKeyJMDXBWGYCRXODM-UHFFFAOYSA-N
XLogP1.39
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-oxo-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate
CID 103200797
ethyl 5-phenylimidazo[1,2-a]pyrimidine-2-carboxylate
CID 103200747
CID 156642699
CID 156642699
CID 156642698
CID 156642698
7-ethoxy-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylic acid
CID 22224509
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-(5-methylthiophen-2-yl)imidazo[1,2-a]pyrimidine-2-carboxylate
CID 103200760
ethyl 3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxylate
CID 71747575
ethyl 5-(2,5-dimethylfuran-3-yl)imidazo[1,2-a]pyrimidine-2-carboxylate
CID 103200741
ethyl 6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine-2-carboxylate
CID 18183087
methyl 6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline-2-carboxylate
CID 103200442

Frequently Asked Questions

What is the IUPAC name of ethyl 1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate?
The IUPAC name of ethyl 1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate (CID 103200745) is ethyl 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 1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate?
The canonical SMILES for ethyl 1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate is CCOC(=O)c1cn2c3c(cnc2n1)CCC3.
What is the InChIKey of ethyl 1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate?
The InChIKey is JMDXBWGYCRXODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-17-11(16)9-7-15-10-5-3-4-8(10)6-13-12(15)14-9/h6-7H,2-5H2,1H3.
What are the key properties of ethyl 1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate?
ethyl 1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate has a molecular weight of 231.25 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate is sourced from PubChem (CID 103200745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).