3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxypropan-1-amine

C11H12ClF3N4O — CID 103157480

IUPAC3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxypropan-1-amine
SMILESCOC(CN)Cc1nnc2c(Cl)cc(C(F)(F)F)cn12
InChIInChI=1S/C11H12ClF3N4O/c1-20-7(4-16)3-9-17-18-10-8(12)2-6(5-19(9)10)11(13,14)15/h2,5,7H,3-4,16H2,1H3
InChIKeyVUTNYYKHEFBFRU-UHFFFAOYSA-N
MW308.69 g/mol
LogP1.92
Rot. Bonds4

About 3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxypropan-1-amine

3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxypropan-1-amine (PubChem CID 103157480) has the molecular formula C11H12ClF3N4O and a molecular weight of 308.69 g/mol. Its IUPAC name is 3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxypropan-1-amine.

Molecular Properties

Compound Name3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxypropan-1-amine
PubChem CID103157480
Molecular FormulaC11H12ClF3N4O
Molecular Weight308.69 g/mol
Exact Mass308.07
IUPAC Name3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxypropan-1-amine
SMILESCOC(CN)Cc1nnc2c(Cl)cc(C(F)(F)F)cn12
InChIInChI=1S/C11H12ClF3N4O/c1-20-7(4-16)3-9-17-18-10-8(12)2-6(5-19(9)10)11(13,14)15/h2,5,7H,3-4,16H2,1H3
InChIKeyVUTNYYKHEFBFRU-UHFFFAOYSA-N
XLogP1.92
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.69
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxypropan-1-amine?
The IUPAC name of 3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxypropan-1-amine (CID 103157480) is 3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxypropan-1-amine.
What is the SMILES notation for 3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxypropan-1-amine?
The canonical SMILES for 3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxypropan-1-amine is COC(CN)Cc1nnc2c(Cl)cc(C(F)(F)F)cn12.
What is the InChIKey of 3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxypropan-1-amine?
The InChIKey is VUTNYYKHEFBFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N4O/c1-20-7(4-16)3-9-17-18-10-8(12)2-6(5-19(9)10)11(13,14)15/h2,5,7H,3-4,16H2,1H3.
What are the key properties of 3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxypropan-1-amine?
3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxypropan-1-amine has a molecular weight of 308.69 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxypropan-1-amine is sourced from PubChem (CID 103157480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).