12-methyl-2-oxa-6,7,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),3,5,11,13-pentaene

C11H11N3O — CID 145135670

IUPAC12-methyl-2-oxa-6,7,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),3,5,11,13-pentaene
SMILESCc1cnc2c(c1)CCn1nccc1O2
InChIInChI=1S/C11H11N3O/c1-8-6-9-3-5-14-10(2-4-13-14)15-11(9)12-7-8/h2,4,6-7H,3,5H2,1H3
InChIKeyOQOUMCIRWPADDS-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.93
Rot. Bonds

About 12-methyl-2-oxa-6,7,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),3,5,11,13-pentaene

12-methyl-2-oxa-6,7,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),3,5,11,13-pentaene (PubChem CID 145135670) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 12-methyl-2-oxa-6,7,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),3,5,11,13-pentaene.

Molecular Properties

Compound Name12-methyl-2-oxa-6,7,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),3,5,11,13-pentaene
PubChem CID145135670
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name12-methyl-2-oxa-6,7,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),3,5,11,13-pentaene
SMILESCc1cnc2c(c1)CCn1nccc1O2
InChIInChI=1S/C11H11N3O/c1-8-6-9-3-5-14-10(2-4-13-14)15-11(9)12-7-8/h2,4,6-7H,3,5H2,1H3
InChIKeyOQOUMCIRWPADDS-UHFFFAOYSA-N
XLogP1.93
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 12-methyl-2-oxa-6,7,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),3,5,11,13-pentaene?
The IUPAC name of 12-methyl-2-oxa-6,7,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),3,5,11,13-pentaene (CID 145135670) is 12-methyl-2-oxa-6,7,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),3,5,11,13-pentaene.
What is the SMILES notation for 12-methyl-2-oxa-6,7,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),3,5,11,13-pentaene?
The canonical SMILES for 12-methyl-2-oxa-6,7,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),3,5,11,13-pentaene is Cc1cnc2c(c1)CCn1nccc1O2.
What is the InChIKey of 12-methyl-2-oxa-6,7,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),3,5,11,13-pentaene?
The InChIKey is OQOUMCIRWPADDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-8-6-9-3-5-14-10(2-4-13-14)15-11(9)12-7-8/h2,4,6-7H,3,5H2,1H3.
What are the key properties of 12-methyl-2-oxa-6,7,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),3,5,11,13-pentaene?
12-methyl-2-oxa-6,7,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),3,5,11,13-pentaene has a molecular weight of 201.23 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-2-oxa-6,7,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),3,5,11,13-pentaene is sourced from PubChem (CID 145135670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).