11-ethyl-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one

C11H15N3O — CID 139312851

IUPAC11-ethyl-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one
SMILESCCc1cc2n(c(=O)n1)CC1CCCN21
InChIInChI=1S/C11H15N3O/c1-2-8-6-10-13-5-3-4-9(13)7-14(10)11(15)12-8/h6,9H,2-5,7H2,1H3
InChIKeyPKWISLOXPIDNTB-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.79
Rot. Bonds1

About 11-ethyl-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one

11-ethyl-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one (PubChem CID 139312851) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 11-ethyl-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one.

Molecular Properties

Compound Name11-ethyl-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one
PubChem CID139312851
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name11-ethyl-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one
SMILESCCc1cc2n(c(=O)n1)CC1CCCN21
InChIInChI=1S/C11H15N3O/c1-2-8-6-10-13-5-3-4-9(13)7-14(10)11(15)12-8/h6,9H,2-5,7H2,1H3
InChIKeyPKWISLOXPIDNTB-UHFFFAOYSA-N
XLogP0.79
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-ethyl-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one?
The IUPAC name of 11-ethyl-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one (CID 139312851) is 11-ethyl-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one.
What is the SMILES notation for 11-ethyl-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one?
The canonical SMILES for 11-ethyl-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one is CCc1cc2n(c(=O)n1)CC1CCCN21.
What is the InChIKey of 11-ethyl-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one?
The InChIKey is PKWISLOXPIDNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-8-6-10-13-5-3-4-9(13)7-14(10)11(15)12-8/h6,9H,2-5,7H2,1H3.
What are the key properties of 11-ethyl-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one?
11-ethyl-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one has a molecular weight of 205.26 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethyl-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one is sourced from PubChem (CID 139312851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).