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

C11H17F3N4 — CID 81251565

IUPAC2-methyl-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine
SMILESCC(C)C(N)c1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C11H17F3N4/c1-6(2)9(15)10-17-16-8-4-3-7(5-18(8)10)11(12,13)14/h6-7,9H,3-5,15H2,1-2H3
InChIKeyUGBGYNMTLXLCAH-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.06
Rot. Bonds2

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

2-methyl-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine (PubChem CID 81251565) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 2-methyl-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine
PubChem CID81251565
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name2-methyl-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine
SMILESCC(C)C(N)c1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C11H17F3N4/c1-6(2)9(15)10-17-16-8-4-3-7(5-18(8)10)11(12,13)14/h6-7,9H,3-5,15H2,1-2H3
InChIKeyUGBGYNMTLXLCAH-UHFFFAOYSA-N
XLogP2.06
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-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 2-methyl-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine (CID 81251565) is 2-methyl-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 2-methyl-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 2-methyl-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine is CC(C)C(N)c1nnc2n1CC(C(F)(F)F)CC2.
What is the InChIKey of 2-methyl-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine?
The InChIKey is UGBGYNMTLXLCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-6(2)9(15)10-17-16-8-4-3-7(5-18(8)10)11(12,13)14/h6-7,9H,3-5,15H2,1-2H3.
What are the key properties of 2-methyl-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine?
2-methyl-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 262.28 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-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 81251565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).