N-ethyl-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine

C12H15F3N4 — CID 62852609

IUPACN-ethyl-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine
SMILESCCNCC(C)c1nnc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C12H15F3N4/c1-3-16-6-8(2)11-18-17-10-5-4-9(7-19(10)11)12(13,14)15/h4-5,7-8,16H,3,6H2,1-2H3
InChIKeyKSFLIVGGEXGYAM-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.46
Rot. Bonds4

About N-ethyl-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine

N-ethyl-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine (PubChem CID 62852609) has the molecular formula C12H15F3N4 and a molecular weight of 272.27 g/mol. Its IUPAC name is N-ethyl-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine
PubChem CID62852609
Molecular FormulaC12H15F3N4
Molecular Weight272.27 g/mol
Exact Mass272.12
IUPAC NameN-ethyl-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine
SMILESCCNCC(C)c1nnc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C12H15F3N4/c1-3-16-6-8(2)11-18-17-10-5-4-9(7-19(10)11)12(13,14)15/h4-5,7-8,16H,3,6H2,1-2H3
InChIKeyKSFLIVGGEXGYAM-UHFFFAOYSA-N
XLogP2.46
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine?
The IUPAC name of N-ethyl-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine (CID 62852609) is N-ethyl-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine?
The canonical SMILES for N-ethyl-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine is CCNCC(C)c1nnc2ccc(C(F)(F)F)cn12.
What is the InChIKey of N-ethyl-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine?
The InChIKey is KSFLIVGGEXGYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4/c1-3-16-6-8(2)11-18-17-10-5-4-9(7-19(10)11)12(13,14)15/h4-5,7-8,16H,3,6H2,1-2H3.
What are the key properties of N-ethyl-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine?
N-ethyl-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine has a molecular weight of 272.27 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine is sourced from PubChem (CID 62852609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).