10-methoxy-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene

C11H9N3O — CID 101467836

IUPAC10-methoxy-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene
SMILESCOc1cccn2c1nc1cccnc12
InChIInChI=1S/C11H9N3O/c1-15-9-5-3-7-14-10-8(13-11(9)14)4-2-6-12-10/h2-7H,1H3
InChIKeyPCBXCHJEVWKBIE-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.89
Rot. Bonds1

About 10-methoxy-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene

10-methoxy-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene (PubChem CID 101467836) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 10-methoxy-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene.

Molecular Properties

Compound Name10-methoxy-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene
PubChem CID101467836
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name10-methoxy-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene
SMILESCOc1cccn2c1nc1cccnc12
InChIInChI=1S/C11H9N3O/c1-15-9-5-3-7-14-10-8(13-11(9)14)4-2-6-12-10/h2-7H,1H3
InChIKeyPCBXCHJEVWKBIE-UHFFFAOYSA-N
XLogP1.89
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-methoxy-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene?
The IUPAC name of 10-methoxy-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene (CID 101467836) is 10-methoxy-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene.
What is the SMILES notation for 10-methoxy-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene?
The canonical SMILES for 10-methoxy-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene is COc1cccn2c1nc1cccnc12.
What is the InChIKey of 10-methoxy-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene?
The InChIKey is PCBXCHJEVWKBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c1-15-9-5-3-7-14-10-8(13-11(9)14)4-2-6-12-10/h2-7H,1H3.
What are the key properties of 10-methoxy-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene?
10-methoxy-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene has a molecular weight of 199.21 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene is sourced from PubChem (CID 101467836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).