11-chloro-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one

C10H10ClN3O — CID 5309887

IUPAC11-chloro-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one
SMILESO=C1Nc2cc(Cl)cnc2N2CCCC12
InChIInChI=1S/C10H10ClN3O/c11-6-4-7-9(12-5-6)14-3-1-2-8(14)10(15)13-7/h4-5,8H,1-3H2,(H,13,15)
InChIKeyGWJGYEXYJUMNHL-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.66
Rot. Bonds

About 11-chloro-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one

11-chloro-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one (PubChem CID 5309887) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 11-chloro-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one.

Molecular Properties

Compound Name11-chloro-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one
PubChem CID5309887
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name11-chloro-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one
SMILESO=C1Nc2cc(Cl)cnc2N2CCCC12
InChIInChI=1S/C10H10ClN3O/c11-6-4-7-9(12-5-6)14-3-1-2-8(14)10(15)13-7/h4-5,8H,1-3H2,(H,13,15)
InChIKeyGWJGYEXYJUMNHL-UHFFFAOYSA-N
XLogP1.66
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 11-chloro-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one with MolForge

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Related Compounds

7-Chloro-1,4-dihydropyrido(2,3-b)pyrazine-2,3-dione
CID 10559853
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CID 767491
2-(3-chloro-6-oxo-6a,7,8,9-tetrahydropyrido[3,2-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl)-N-(2-ethylphenyl)acetamide
CID 3237683
4-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyridine-2-carboxamide
CID 32951968
8-Chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
CID 119086960
6-Chloro-3-methyl-1H-imidazo[4,5-b]pyridin-2(3H)-one
CID 657849
3-methyl-1H,2H,3H,4H-pyrido(2,3-b)pyrazin-2-one
CID 10397118
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-pyridin-3-ylacetamide
CID 155568411
3-(4-chlorophenyl)-1,3-dihydro-2H-Imidazo[4,5-b]pyridin-2-one
CID 4516831
3-(2-chlorophenyl)-1H-imidazo[4,5-b]pyridin-2-one
CID 12445561
8-[2-(Dimethylamino)ethyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one
CID 13342084
1,3,8-Triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one
CID 15740882

Frequently Asked Questions

What is the IUPAC name of 11-chloro-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one?
The IUPAC name of 11-chloro-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one (CID 5309887) is 11-chloro-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one.
What is the SMILES notation for 11-chloro-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one?
The canonical SMILES for 11-chloro-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one is O=C1Nc2cc(Cl)cnc2N2CCCC12.
What is the InChIKey of 11-chloro-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one?
The InChIKey is GWJGYEXYJUMNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c11-6-4-7-9(12-5-6)14-3-1-2-8(14)10(15)13-7/h4-5,8H,1-3H2,(H,13,15).
What are the key properties of 11-chloro-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one?
11-chloro-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one has a molecular weight of 223.66 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one is sourced from PubChem (CID 5309887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).