4-methyl-6-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene

C11H15F3N4 — CID 136841539

IUPAC4-methyl-6-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene
SMILESCC1CC(C(F)(F)F)n2nc3c(c2N1)CCCN3
InChIInChI=1S/C11H15F3N4/c1-6-5-8(11(12,13)14)18-10(16-6)7-3-2-4-15-9(7)17-18/h6,8,16H,2-5H2,1H3,(H,15,17)
InChIKeyOMUGCTRFPJDHOS-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.55
Rot. Bonds

About 4-methyl-6-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene

4-methyl-6-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene (PubChem CID 136841539) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is 4-methyl-6-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene.

Molecular Properties

Compound Name4-methyl-6-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene
PubChem CID136841539
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name4-methyl-6-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene
SMILESCC1CC(C(F)(F)F)n2nc3c(c2N1)CCCN3
InChIInChI=1S/C11H15F3N4/c1-6-5-8(11(12,13)14)18-10(16-6)7-3-2-4-15-9(7)17-18/h6,8,16H,2-5H2,1H3,(H,15,17)
InChIKeyOMUGCTRFPJDHOS-UHFFFAOYSA-N
XLogP2.55
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene?
The IUPAC name of 4-methyl-6-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene (CID 136841539) is 4-methyl-6-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene.
What is the SMILES notation for 4-methyl-6-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene?
The canonical SMILES for 4-methyl-6-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene is CC1CC(C(F)(F)F)n2nc3c(c2N1)CCCN3.
What is the InChIKey of 4-methyl-6-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene?
The InChIKey is OMUGCTRFPJDHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4/c1-6-5-8(11(12,13)14)18-10(16-6)7-3-2-4-15-9(7)17-18/h6,8,16H,2-5H2,1H3,(H,15,17).
What are the key properties of 4-methyl-6-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene?
4-methyl-6-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene has a molecular weight of 260.26 g/mol, XLogP of 2.55, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene is sourced from PubChem (CID 136841539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).