11-fluoro-3,3,5-trimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

C12H14FN3 — CID 164600076

IUPAC11-fluoro-3,3,5-trimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCC1CC(C)(C)c2c1cnc1cc(F)nn21
InChIInChI=1S/C12H14FN3/c1-7-5-12(2,3)11-8(7)6-14-10-4-9(13)15-16(10)11/h4,6-7H,5H2,1-3H3
InChIKeySNBCAWMIJHXDEN-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.65
Rot. Bonds

About 11-fluoro-3,3,5-trimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

11-fluoro-3,3,5-trimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (PubChem CID 164600076) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 11-fluoro-3,3,5-trimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.

Molecular Properties

Compound Name11-fluoro-3,3,5-trimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
PubChem CID164600076
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name11-fluoro-3,3,5-trimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCC1CC(C)(C)c2c1cnc1cc(F)nn21
InChIInChI=1S/C12H14FN3/c1-7-5-12(2,3)11-8(7)6-14-10-4-9(13)15-16(10)11/h4,6-7H,5H2,1-3H3
InChIKeySNBCAWMIJHXDEN-UHFFFAOYSA-N
XLogP2.65
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-fluoro-3,3,5-trimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The IUPAC name of 11-fluoro-3,3,5-trimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (CID 164600076) is 11-fluoro-3,3,5-trimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.
What is the SMILES notation for 11-fluoro-3,3,5-trimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The canonical SMILES for 11-fluoro-3,3,5-trimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is CC1CC(C)(C)c2c1cnc1cc(F)nn21.
What is the InChIKey of 11-fluoro-3,3,5-trimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The InChIKey is SNBCAWMIJHXDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-7-5-12(2,3)11-8(7)6-14-10-4-9(13)15-16(10)11/h4,6-7H,5H2,1-3H3.
What are the key properties of 11-fluoro-3,3,5-trimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
11-fluoro-3,3,5-trimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene has a molecular weight of 219.26 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-fluoro-3,3,5-trimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is sourced from PubChem (CID 164600076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).