11-methyl-5-(trifluoromethyl)-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-8-amine

C10H11F3N6 — CID 54860572

IUPAC11-methyl-5-(trifluoromethyl)-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-8-amine
SMILESCN1CCc2nc3nc(C(F)(F)F)nn3c(N)c2C1
InChIInChI=1S/C10H11F3N6/c1-18-3-2-6-5(4-18)7(14)19-9(15-6)16-8(17-19)10(11,12)13/h2-4,14H2,1H3
InChIKeyHYZWVMMPSDPUNN-UHFFFAOYSA-N
MW272.23 g/mol
LogP0.71
Rot. Bonds

About 11-methyl-5-(trifluoromethyl)-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-8-amine

11-methyl-5-(trifluoromethyl)-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-8-amine (PubChem CID 54860572) has the molecular formula C10H11F3N6 and a molecular weight of 272.23 g/mol. Its IUPAC name is 11-methyl-5-(trifluoromethyl)-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-8-amine.

Molecular Properties

Compound Name11-methyl-5-(trifluoromethyl)-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-8-amine
PubChem CID54860572
Molecular FormulaC10H11F3N6
Molecular Weight272.23 g/mol
Exact Mass272.10
IUPAC Name11-methyl-5-(trifluoromethyl)-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-8-amine
SMILESCN1CCc2nc3nc(C(F)(F)F)nn3c(N)c2C1
InChIInChI=1S/C10H11F3N6/c1-18-3-2-6-5(4-18)7(14)19-9(15-6)16-8(17-19)10(11,12)13/h2-4,14H2,1H3
InChIKeyHYZWVMMPSDPUNN-UHFFFAOYSA-N
XLogP0.71
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-5-(trifluoromethyl)-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-8-amine?
The IUPAC name of 11-methyl-5-(trifluoromethyl)-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-8-amine (CID 54860572) is 11-methyl-5-(trifluoromethyl)-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-8-amine.
What is the SMILES notation for 11-methyl-5-(trifluoromethyl)-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-8-amine?
The canonical SMILES for 11-methyl-5-(trifluoromethyl)-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-8-amine is CN1CCc2nc3nc(C(F)(F)F)nn3c(N)c2C1.
What is the InChIKey of 11-methyl-5-(trifluoromethyl)-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-8-amine?
The InChIKey is HYZWVMMPSDPUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N6/c1-18-3-2-6-5(4-18)7(14)19-9(15-6)16-8(17-19)10(11,12)13/h2-4,14H2,1H3.
What are the key properties of 11-methyl-5-(trifluoromethyl)-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-8-amine?
11-methyl-5-(trifluoromethyl)-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-8-amine has a molecular weight of 272.23 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-5-(trifluoromethyl)-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-8-amine is sourced from PubChem (CID 54860572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).