4-ethyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene

C11H12N2O — CID 71623575

IUPAC4-ethyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene
SMILESCCc1cc2c3c(ccn2n1)OCC3
InChIInChI=1S/C11H12N2O/c1-2-8-7-10-9-4-6-14-11(9)3-5-13(10)12-8/h3,5,7H,2,4,6H2,1H3
InChIKeyGNJAGYYULQZUND-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.83
Rot. Bonds1

About 4-ethyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene

4-ethyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene (PubChem CID 71623575) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-ethyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene.

Molecular Properties

Compound Name4-ethyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene
PubChem CID71623575
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name4-ethyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene
SMILESCCc1cc2c3c(ccn2n1)OCC3
InChIInChI=1S/C11H12N2O/c1-2-8-7-10-9-4-6-14-11(9)3-5-13(10)12-8/h3,5,7H,2,4,6H2,1H3
InChIKeyGNJAGYYULQZUND-UHFFFAOYSA-N
XLogP1.83
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene 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

2-(4-ethyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)acetonitrile
CID 53308978
[4-(4-fluorophenyl)-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl]methanol
CID 59179363
2-ethylpyrazolo[1,5-a]pyrimidin-5-amine
CID 91357046
1-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 105180098
1-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105180100
2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 105001631
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethylpyrimidine
CID 43804064
8-(6-ethyl-4-fluoro-3-pyridinyl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine
CID 148950124
4-(2,3-dihydro-1-benzofuran-4-yl)-1-ethylpiperidine
CID 123608868
(2R)-1,1-dideuterio-1-(1,2-dihydrofuro[3,2-e]indol-6-yl)-N,N-dimethylpropan-2-amine
CID 168762062
6-ethyl-2,3-dihydro-1-benzofuran
CID 59981216
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-ethyl-1,3-thiazol-2-amine
CID 62962812

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene?
The IUPAC name of 4-ethyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene (CID 71623575) is 4-ethyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene.
What is the SMILES notation for 4-ethyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene?
The canonical SMILES for 4-ethyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene is CCc1cc2c3c(ccn2n1)OCC3.
What is the InChIKey of 4-ethyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene?
The InChIKey is GNJAGYYULQZUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-8-7-10-9-4-6-14-11(9)3-5-13(10)12-8/h3,5,7H,2,4,6H2,1H3.
What are the key properties of 4-ethyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene?
4-ethyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene has a molecular weight of 188.23 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene is sourced from PubChem (CID 71623575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).