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

C11H17F3N4O — CID 81252445

IUPAC3-methoxy-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine
SMILESCOCCC(N)c1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C11H17F3N4O/c1-19-5-4-8(15)10-17-16-9-3-2-7(6-18(9)10)11(12,13)14/h7-8H,2-6,15H2,1H3
InChIKeyHVDSQMJYTDTHAX-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.44
Rot. Bonds4

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

3-methoxy-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine (PubChem CID 81252445) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 3-methoxy-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine
PubChem CID81252445
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name3-methoxy-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine
SMILESCOCCC(N)c1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C11H17F3N4O/c1-19-5-4-8(15)10-17-16-9-3-2-7(6-18(9)10)11(12,13)14/h7-8H,2-6,15H2,1H3
InChIKeyHVDSQMJYTDTHAX-UHFFFAOYSA-N
XLogP1.44
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine?
The IUPAC name of 3-methoxy-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine (CID 81252445) is 3-methoxy-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine.
What is the SMILES notation for 3-methoxy-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine?
The canonical SMILES for 3-methoxy-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine is COCCC(N)c1nnc2n1CC(C(F)(F)F)CC2.
What is the InChIKey of 3-methoxy-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine?
The InChIKey is HVDSQMJYTDTHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-19-5-4-8(15)10-17-16-9-3-2-7(6-18(9)10)11(12,13)14/h7-8H,2-6,15H2,1H3.
What are the key properties of 3-methoxy-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine?
3-methoxy-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine has a molecular weight of 278.28 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine is sourced from PubChem (CID 81252445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).