8-oxa-2,4,10-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),9,12,14-heptaene

C12H7N3O — CID 58943947

IUPAC8-oxa-2,4,10-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),9,12,14-heptaene
SMILESc1ccc2c(c1)c1ncoc1c1cncn21
InChIInChI=1S/C12H7N3O/c1-2-4-9-8(3-1)11-12(16-7-14-11)10-5-13-6-15(9)10/h1-7H
InChIKeyAKNNBLLBOQOQKS-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.63
Rot. Bonds

About 8-oxa-2,4,10-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),9,12,14-heptaene

8-oxa-2,4,10-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),9,12,14-heptaene (PubChem CID 58943947) has the molecular formula C12H7N3O and a molecular weight of 209.21 g/mol. Its IUPAC name is 8-oxa-2,4,10-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),9,12,14-heptaene.

Molecular Properties

Compound Name8-oxa-2,4,10-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),9,12,14-heptaene
PubChem CID58943947
Molecular FormulaC12H7N3O
Molecular Weight209.21 g/mol
Exact Mass209.06
IUPAC Name8-oxa-2,4,10-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),9,12,14-heptaene
SMILESc1ccc2c(c1)c1ncoc1c1cncn21
InChIInChI=1S/C12H7N3O/c1-2-4-9-8(3-1)11-12(16-7-14-11)10-5-13-6-15(9)10/h1-7H
InChIKeyAKNNBLLBOQOQKS-UHFFFAOYSA-N
XLogP2.63
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-oxa-2,4,10-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),9,12,14-heptaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8-oxa-2,4,10-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),9,12,14-heptaene?
The IUPAC name of 8-oxa-2,4,10-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),9,12,14-heptaene (CID 58943947) is 8-oxa-2,4,10-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),9,12,14-heptaene.
What is the SMILES notation for 8-oxa-2,4,10-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),9,12,14-heptaene?
The canonical SMILES for 8-oxa-2,4,10-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),9,12,14-heptaene is c1ccc2c(c1)c1ncoc1c1cncn21.
What is the InChIKey of 8-oxa-2,4,10-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),9,12,14-heptaene?
The InChIKey is AKNNBLLBOQOQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O/c1-2-4-9-8(3-1)11-12(16-7-14-11)10-5-13-6-15(9)10/h1-7H.
What are the key properties of 8-oxa-2,4,10-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),9,12,14-heptaene?
8-oxa-2,4,10-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),9,12,14-heptaene has a molecular weight of 209.21 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-2,4,10-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),9,12,14-heptaene is sourced from PubChem (CID 58943947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).