11-ethyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one

C11H13N3O — CID 104621255

IUPAC11-ethyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
SMILESCCc1cc2nc3c(c(=O)n2[nH]1)CCC3
InChIInChI=1S/C11H13N3O/c1-2-7-6-10-12-9-5-3-4-8(9)11(15)14(10)13-7/h6,13H,2-5H2,1H3
InChIKeyOJEIYKZTKAKJJS-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.07
Rot. Bonds1

About 11-ethyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one

11-ethyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one (PubChem CID 104621255) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 11-ethyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one.

Molecular Properties

Compound Name11-ethyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
PubChem CID104621255
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name11-ethyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
SMILESCCc1cc2nc3c(c(=O)n2[nH]1)CCC3
InChIInChI=1S/C11H13N3O/c1-2-7-6-10-12-9-5-3-4-8(9)11(15)14(10)13-7/h6,13H,2-5H2,1H3
InChIKeyOJEIYKZTKAKJJS-UHFFFAOYSA-N
XLogP1.07
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 11-ethyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one with MolForge

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Related Compounds

5-ethyl-2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,4-trien-8-one
CID 104621296
2-ethyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-9-thione
CID 82270237
11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
CID 3613608
2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
CID 113433916
11-(4-fluorophenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
CID 804448
5-propyl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 106471783
5-amino-2-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 66896039
1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one
CID 523987
3-isocyano-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
CID 123842621
5,6-dimethyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 104621334
11-methyl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
CID 146160690
3-[(4-fluorophenyl)methyl]-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 7748350

Frequently Asked Questions

What is the IUPAC name of 11-ethyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one?
The IUPAC name of 11-ethyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one (CID 104621255) is 11-ethyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one.
What is the SMILES notation for 11-ethyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one?
The canonical SMILES for 11-ethyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one is CCc1cc2nc3c(c(=O)n2[nH]1)CCC3.
What is the InChIKey of 11-ethyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one?
The InChIKey is OJEIYKZTKAKJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-7-6-10-12-9-5-3-4-8(9)11(15)14(10)13-7/h6,13H,2-5H2,1H3.
What are the key properties of 11-ethyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one?
11-ethyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one has a molecular weight of 203.24 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one is sourced from PubChem (CID 104621255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).