12-ethoxy-8-ethyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one

C14H15N3O2 — CID 110188611

IUPAC12-ethoxy-8-ethyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one
SMILESCCOc1ccc2c(n1)n1cccc1c(=O)n2CC
InChIInChI=1S/C14H15N3O2/c1-3-16-10-7-8-12(19-4-2)15-13(10)17-9-5-6-11(17)14(16)18/h5-9H,3-4H2,1-2H3
InChIKeyASXYMYXQFLQEDR-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.07
Rot. Bonds3

About 12-ethoxy-8-ethyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one

12-ethoxy-8-ethyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one (PubChem CID 110188611) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 12-ethoxy-8-ethyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one.

Molecular Properties

Compound Name12-ethoxy-8-ethyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one
PubChem CID110188611
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name12-ethoxy-8-ethyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one
SMILESCCOc1ccc2c(n1)n1cccc1c(=O)n2CC
InChIInChI=1S/C14H15N3O2/c1-3-16-10-7-8-12(19-4-2)15-13(10)17-9-5-6-11(17)14(16)18/h5-9H,3-4H2,1-2H3
InChIKeyASXYMYXQFLQEDR-UHFFFAOYSA-N
XLogP2.07
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-[3-(4-benzhydrylpiperazin-1-yl)propoxy]-8-ethyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one
CID 110188733
3-(12-methoxy-7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)propyl-pyridin-4-ylazanium chloride
CID 110188064
12-methoxy-8-[3-[4-(4-methylphenyl)piperazin-1-ium-1-yl]propyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one chloride
CID 110188131
12-ethoxy-3-ethyl-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one
CID 110188847
8-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propyl]-12-methoxy-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one
CID 110188160
2-(diethoxymethyl)-1-ethylimidazo[4,5-b]pyridine
CID 69231175
N-(2,5-diethoxyphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide
CID 22522541
8-[2-(1-methylpyrrolidin-1-ium-2-yl)ethyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one chloride
CID 110186885
ethane;1-ethyl-3-methylquinolin-2-one
CID 142177817
2-ethoxy-1,8-naphthyridine
CID 4053994
4-ethoxy-1-trimethylsilylpyrimidin-2-one
CID 154158661
1-ethyl-3-methylquinoxalin-2-one
CID 139075519

Frequently Asked Questions

What is the IUPAC name of 12-ethoxy-8-ethyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one?
The IUPAC name of 12-ethoxy-8-ethyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one (CID 110188611) is 12-ethoxy-8-ethyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one.
What is the SMILES notation for 12-ethoxy-8-ethyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one?
The canonical SMILES for 12-ethoxy-8-ethyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one is CCOc1ccc2c(n1)n1cccc1c(=O)n2CC.
What is the InChIKey of 12-ethoxy-8-ethyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one?
The InChIKey is ASXYMYXQFLQEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-3-16-10-7-8-12(19-4-2)15-13(10)17-9-5-6-11(17)14(16)18/h5-9H,3-4H2,1-2H3.
What are the key properties of 12-ethoxy-8-ethyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one?
12-ethoxy-8-ethyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one has a molecular weight of 257.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-ethoxy-8-ethyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one is sourced from PubChem (CID 110188611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).