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

C10H15F3N4 — CID 83966813

IUPAC3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propan-1-amine
SMILESNCCCc1nc2n(n1)CC(C(F)(F)F)CC2
InChIInChI=1S/C10H15F3N4/c11-10(12,13)7-3-4-9-15-8(2-1-5-14)16-17(9)6-7/h7H,1-6,14H2
InChIKeyDFBVQXFMAFWLDR-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.29
Rot. Bonds3

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

3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propan-1-amine (PubChem CID 83966813) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propan-1-amine
PubChem CID83966813
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propan-1-amine
SMILESNCCCc1nc2n(n1)CC(C(F)(F)F)CC2
InChIInChI=1S/C10H15F3N4/c11-10(12,13)7-3-4-9-15-8(2-1-5-14)16-17(9)6-7/h7H,1-6,14H2
InChIKeyDFBVQXFMAFWLDR-UHFFFAOYSA-N
XLogP1.29
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propan-1-amine?
The IUPAC name of 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propan-1-amine (CID 83966813) is 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propan-1-amine.
What is the SMILES notation for 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propan-1-amine?
The canonical SMILES for 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propan-1-amine is NCCCc1nc2n(n1)CC(C(F)(F)F)CC2.
What is the InChIKey of 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propan-1-amine?
The InChIKey is DFBVQXFMAFWLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c11-10(12,13)7-3-4-9-15-8(2-1-5-14)16-17(9)6-7/h7H,1-6,14H2.
What are the key properties of 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propan-1-amine?
3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propan-1-amine has a molecular weight of 248.25 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propan-1-amine is sourced from PubChem (CID 83966813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).