11-fluoro-5-methyl-5,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene

C11H12FN3 — CID 121385602

IUPAC11-fluoro-5-methyl-5,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene
SMILESCN1CCc2c(nn3cc(F)ccc23)C1
InChIInChI=1S/C11H12FN3/c1-14-5-4-9-10(7-14)13-15-6-8(12)2-3-11(9)15/h2-3,6H,4-5,7H2,1H3
InChIKeyQXJRYKRGCTVXBO-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.46
Rot. Bonds

About 11-fluoro-5-methyl-5,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene

11-fluoro-5-methyl-5,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene (PubChem CID 121385602) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 11-fluoro-5-methyl-5,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene.

Molecular Properties

Compound Name11-fluoro-5-methyl-5,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene
PubChem CID121385602
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name11-fluoro-5-methyl-5,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene
SMILESCN1CCc2c(nn3cc(F)ccc23)C1
InChIInChI=1S/C11H12FN3/c1-14-5-4-9-10(7-14)13-15-6-8(12)2-3-11(9)15/h2-3,6H,4-5,7H2,1H3
InChIKeyQXJRYKRGCTVXBO-UHFFFAOYSA-N
XLogP1.46
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-fluoro-5-methyl-5,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene?
The IUPAC name of 11-fluoro-5-methyl-5,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene (CID 121385602) is 11-fluoro-5-methyl-5,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene.
What is the SMILES notation for 11-fluoro-5-methyl-5,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene?
The canonical SMILES for 11-fluoro-5-methyl-5,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene is CN1CCc2c(nn3cc(F)ccc23)C1.
What is the InChIKey of 11-fluoro-5-methyl-5,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene?
The InChIKey is QXJRYKRGCTVXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-14-5-4-9-10(7-14)13-15-6-8(12)2-3-11(9)15/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 11-fluoro-5-methyl-5,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene?
11-fluoro-5-methyl-5,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene has a molecular weight of 205.24 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-fluoro-5-methyl-5,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene is sourced from PubChem (CID 121385602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).