6-[[4-(trifluoromethyl)triazol-1-yl]methyl]-2-azaspiro[3.3]heptane

C10H13F3N4 — CID 170784971

IUPAC6-[[4-(trifluoromethyl)triazol-1-yl]methyl]-2-azaspiro[3.3]heptane
SMILESFC(F)(F)c1cn(CC2CC3(CNC3)C2)nn1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)8-4-17(16-15-8)3-7-1-9(2-7)5-14-6-9/h4,7,14H,1-3,5-6H2
InChIKeyNSCRCIXJZDHDPG-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.30
Rot. Bonds2

About 6-[[4-(trifluoromethyl)triazol-1-yl]methyl]-2-azaspiro[3.3]heptane

6-[[4-(trifluoromethyl)triazol-1-yl]methyl]-2-azaspiro[3.3]heptane (PubChem CID 170784971) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 6-[[4-(trifluoromethyl)triazol-1-yl]methyl]-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[[4-(trifluoromethyl)triazol-1-yl]methyl]-2-azaspiro[3.3]heptane
PubChem CID170784971
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name6-[[4-(trifluoromethyl)triazol-1-yl]methyl]-2-azaspiro[3.3]heptane
SMILESFC(F)(F)c1cn(CC2CC3(CNC3)C2)nn1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)8-4-17(16-15-8)3-7-1-9(2-7)5-14-6-9/h4,7,14H,1-3,5-6H2
InChIKeyNSCRCIXJZDHDPG-UHFFFAOYSA-N
XLogP1.30
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[[4-(trifluoromethyl)triazol-1-yl]methyl]-2-azaspiro[3.3]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(trifluoromethyl)triazol-1-yl]methyl]-2-azaspiro[3.3]heptane?
The IUPAC name of 6-[[4-(trifluoromethyl)triazol-1-yl]methyl]-2-azaspiro[3.3]heptane (CID 170784971) is 6-[[4-(trifluoromethyl)triazol-1-yl]methyl]-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6-[[4-(trifluoromethyl)triazol-1-yl]methyl]-2-azaspiro[3.3]heptane?
The canonical SMILES for 6-[[4-(trifluoromethyl)triazol-1-yl]methyl]-2-azaspiro[3.3]heptane is FC(F)(F)c1cn(CC2CC3(CNC3)C2)nn1.
What is the InChIKey of 6-[[4-(trifluoromethyl)triazol-1-yl]methyl]-2-azaspiro[3.3]heptane?
The InChIKey is NSCRCIXJZDHDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c11-10(12,13)8-4-17(16-15-8)3-7-1-9(2-7)5-14-6-9/h4,7,14H,1-3,5-6H2.
What are the key properties of 6-[[4-(trifluoromethyl)triazol-1-yl]methyl]-2-azaspiro[3.3]heptane?
6-[[4-(trifluoromethyl)triazol-1-yl]methyl]-2-azaspiro[3.3]heptane has a molecular weight of 246.24 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(trifluoromethyl)triazol-1-yl]methyl]-2-azaspiro[3.3]heptane is sourced from PubChem (CID 170784971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).