3-ethyl-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one

C14H12N4O — CID 15282526

IUPAC3-ethyl-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one
SMILESCCc1nnc2c(=O)[nH]c3c(n12)Cc1ccccc1-3
InChIInChI=1S/C14H12N4O/c1-2-11-16-17-13-14(19)15-12-9-6-4-3-5-8(9)7-10(12)18(11)13/h3-6H,2,7H2,1H3,(H,15,19)
InChIKeyOTBYGEYMHZFBNU-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.55
Rot. Bonds1

About 3-ethyl-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one

3-ethyl-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one (PubChem CID 15282526) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-ethyl-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one.

Molecular Properties

Compound Name3-ethyl-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one
PubChem CID15282526
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name3-ethyl-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one
SMILESCCc1nnc2c(=O)[nH]c3c(n12)Cc1ccccc1-3
InChIInChI=1S/C14H12N4O/c1-2-11-16-17-13-14(19)15-12-9-6-4-3-5-8(9)7-10(12)18(11)13/h3-6H,2,7H2,1H3,(H,15,19)
InChIKeyOTBYGEYMHZFBNU-UHFFFAOYSA-N
XLogP1.55
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one with MolForge

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Related Compounds

3-butyl-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one
CID 15401709
N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-3-yl)-4-phenylbutanamide
CID 86752967
2-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-4-yl)benzoic acid
CID 150060540
6,11-dihydroindeno[1,2-c]isoquinolin-5-one;methanol
CID 91287320
1,5-dihydroindeno[1,2-d]pyrimidin-2-one
CID 66489815
3-ethyl-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-a][2,3]benzodiazepine
CID 17028236
2-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-13-yl)acetamide
CID 18790622
7-(6-phenylhexanoyl)-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 58575265
ethyl 3-methyl-1,4-dihydroindeno[1,2-b]pyrrole-2-carboxylate
CID 10105747
13-fluoro-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-7-one;hydrochloride
CID 18918168
13-amino-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-7-one;hydrochloride
CID 18975490
N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-13-yl)-5-phenylpentanamide
CID 15293019

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one?
The IUPAC name of 3-ethyl-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one (CID 15282526) is 3-ethyl-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one.
What is the SMILES notation for 3-ethyl-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one?
The canonical SMILES for 3-ethyl-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one is CCc1nnc2c(=O)[nH]c3c(n12)Cc1ccccc1-3.
What is the InChIKey of 3-ethyl-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one?
The InChIKey is OTBYGEYMHZFBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-2-11-16-17-13-14(19)15-12-9-6-4-3-5-8(9)7-10(12)18(11)13/h3-6H,2,7H2,1H3,(H,15,19).
What are the key properties of 3-ethyl-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one?
3-ethyl-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one has a molecular weight of 252.28 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one is sourced from PubChem (CID 15282526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).