5,5-dimethyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxolan-3-amine

C14H21F3N4O — CID 167982639

IUPAC5,5-dimethyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxolan-3-amine
SMILESCC1(C)CC(NCc2nnc3n2CCCC3C(F)(F)F)CO1
InChIInChI=1S/C14H21F3N4O/c1-13(2)6-9(8-22-13)18-7-11-19-20-12-10(14(15,16)17)4-3-5-21(11)12/h9-10,18H,3-8H2,1-2H3
InChIKeyICBOGJIWUQGZSW-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.37
Rot. Bonds3

About 5,5-dimethyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxolan-3-amine

5,5-dimethyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxolan-3-amine (PubChem CID 167982639) has the molecular formula C14H21F3N4O and a molecular weight of 318.34 g/mol. Its IUPAC name is 5,5-dimethyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxolan-3-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxolan-3-amine
PubChem CID167982639
Molecular FormulaC14H21F3N4O
Molecular Weight318.34 g/mol
Exact Mass318.17
IUPAC Name5,5-dimethyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxolan-3-amine
SMILESCC1(C)CC(NCc2nnc3n2CCCC3C(F)(F)F)CO1
InChIInChI=1S/C14H21F3N4O/c1-13(2)6-9(8-22-13)18-7-11-19-20-12-10(14(15,16)17)4-3-5-21(11)12/h9-10,18H,3-8H2,1-2H3
InChIKeyICBOGJIWUQGZSW-UHFFFAOYSA-N
XLogP2.37
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxolan-3-amine?
The IUPAC name of 5,5-dimethyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxolan-3-amine (CID 167982639) is 5,5-dimethyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxolan-3-amine.
What is the SMILES notation for 5,5-dimethyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxolan-3-amine?
The canonical SMILES for 5,5-dimethyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxolan-3-amine is CC1(C)CC(NCc2nnc3n2CCCC3C(F)(F)F)CO1.
What is the InChIKey of 5,5-dimethyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxolan-3-amine?
The InChIKey is ICBOGJIWUQGZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O/c1-13(2)6-9(8-22-13)18-7-11-19-20-12-10(14(15,16)17)4-3-5-21(11)12/h9-10,18H,3-8H2,1-2H3.
What are the key properties of 5,5-dimethyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxolan-3-amine?
5,5-dimethyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxolan-3-amine has a molecular weight of 318.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxolan-3-amine is sourced from PubChem (CID 167982639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).