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

C8H11F3N4 — CID 71756351

IUPAC[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine
SMILESNCc1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C8H11F3N4/c9-8(10,11)5-1-2-6-13-14-7(3-12)15(6)4-5/h5H,1-4,12H2
InChIKeyKYVOJELSYUUTHH-UHFFFAOYSA-N
MW220.20 g/mol
LogP0.86
Rot. Bonds1

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

[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine (PubChem CID 71756351) has the molecular formula C8H11F3N4 and a molecular weight of 220.20 g/mol. Its IUPAC name is [6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine
PubChem CID71756351
Molecular FormulaC8H11F3N4
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Name[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine
SMILESNCc1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C8H11F3N4/c9-8(10,11)5-1-2-6-13-14-7(3-12)15(6)4-5/h5H,1-4,12H2
InChIKeyKYVOJELSYUUTHH-UHFFFAOYSA-N
XLogP0.86
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 53444525
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CID 71756350
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Frequently Asked Questions

What is the IUPAC name of [6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine?
The IUPAC name of [6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine (CID 71756351) is [6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine.
What is the SMILES notation for [6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine?
The canonical SMILES for [6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine is NCc1nnc2n1CC(C(F)(F)F)CC2.
What is the InChIKey of [6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine?
The InChIKey is KYVOJELSYUUTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4/c9-8(10,11)5-1-2-6-13-14-7(3-12)15(6)4-5/h5H,1-4,12H2.
What are the key properties of [6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine?
[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine has a molecular weight of 220.20 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine is sourced from PubChem (CID 71756351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).