(5R)-14-fluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene

C12H16FN3 — CID 155359500

IUPAC(5R)-14-fluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene
SMILESC[C@@H]1Cc2nn3c(c2CN1)C(F)=CCCC3
InChIInChI=1S/C12H16FN3/c1-8-6-11-9(7-14-8)12-10(13)4-2-3-5-16(12)15-11/h4,8,14H,2-3,5-7H2,1H3/t8-/m1/s1
InChIKeyCTJDFXGDWILLCJ-MRVPVSSYSA-N
MW221.28 g/mol
LogP2.02
Rot. Bonds

About (5R)-14-fluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene

(5R)-14-fluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene (PubChem CID 155359500) has the molecular formula C12H16FN3 and a molecular weight of 221.28 g/mol. Its IUPAC name is (5R)-14-fluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene.

Molecular Properties

Compound Name(5R)-14-fluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene
PubChem CID155359500
Molecular FormulaC12H16FN3
Molecular Weight221.28 g/mol
Exact Mass221.13
IUPAC Name(5R)-14-fluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene
SMILESC[C@@H]1Cc2nn3c(c2CN1)C(F)=CCCC3
InChIInChI=1S/C12H16FN3/c1-8-6-11-9(7-14-8)12-10(13)4-2-3-5-16(12)15-11/h4,8,14H,2-3,5-7H2,1H3/t8-/m1/s1
InChIKeyCTJDFXGDWILLCJ-MRVPVSSYSA-N
XLogP2.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5R)-14-fluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene with MolForge

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Related Compounds

3-(4-Fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 44384532
1h-Pyrazolo[4,3-c]pyridine,4,5,6,7-tetrahydro-1-(1-methylethyl)-3-phenyl-
CID 44383991
3-(3-Fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 44384588
1-methyl-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 44383892
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-2-amine
CID 56716650
3-(4-Fluorophenyl)-1-hexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 44384101
3-(4-Fluorophenyl)-1-pentyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 44384222
1h-Pyrazolo[4,3-c]pyridine,1-ethyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-
CID 44384531
3-(4-Fluorophenyl)-1-(1-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 44384703
3-(2-Fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 44384806
1h-Pyrazolo[4,3-c]pyridine,1-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-
CID 44385043
1h-Pyrazolo[4,3-c]pyridine,3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-propyl-
CID 44385298

Frequently Asked Questions

What is the IUPAC name of (5R)-14-fluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene?
The IUPAC name of (5R)-14-fluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene (CID 155359500) is (5R)-14-fluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene.
What is the SMILES notation for (5R)-14-fluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene?
The canonical SMILES for (5R)-14-fluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene is C[C@@H]1Cc2nn3c(c2CN1)C(F)=CCCC3.
What is the InChIKey of (5R)-14-fluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene?
The InChIKey is CTJDFXGDWILLCJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16FN3/c1-8-6-11-9(7-14-8)12-10(13)4-2-3-5-16(12)15-11/h4,8,14H,2-3,5-7H2,1H3/t8-/m1/s1.
What are the key properties of (5R)-14-fluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene?
(5R)-14-fluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene has a molecular weight of 221.28 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-14-fluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene is sourced from PubChem (CID 155359500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).