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

C10H10ClF3N4 — CID 62676097

IUPAC2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine
SMILESCC(CN)c1nnc2c(Cl)cc(C(F)(F)F)cn12
InChIInChI=1S/C10H10ClF3N4/c1-5(3-15)8-16-17-9-7(11)2-6(4-18(8)9)10(12,13)14/h2,4-5H,3,15H2,1H3
InChIKeyXYGLQFOUNLKEEJ-UHFFFAOYSA-N
MW278.67 g/mol
LogP2.46
Rot. Bonds2

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

2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine (PubChem CID 62676097) has the molecular formula C10H10ClF3N4 and a molecular weight of 278.67 g/mol. Its IUPAC name is 2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine.

Molecular Properties

Compound Name2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine
PubChem CID62676097
Molecular FormulaC10H10ClF3N4
Molecular Weight278.67 g/mol
Exact Mass278.05
IUPAC Name2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine
SMILESCC(CN)c1nnc2c(Cl)cc(C(F)(F)F)cn12
InChIInChI=1S/C10H10ClF3N4/c1-5(3-15)8-16-17-9-7(11)2-6(4-18(8)9)10(12,13)14/h2,4-5H,3,15H2,1H3
InChIKeyXYGLQFOUNLKEEJ-UHFFFAOYSA-N
XLogP2.46
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.67
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine?
The IUPAC name of 2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine (CID 62676097) is 2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine.
What is the SMILES notation for 2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine?
The canonical SMILES for 2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine is CC(CN)c1nnc2c(Cl)cc(C(F)(F)F)cn12.
What is the InChIKey of 2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine?
The InChIKey is XYGLQFOUNLKEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N4/c1-5(3-15)8-16-17-9-7(11)2-6(4-18(8)9)10(12,13)14/h2,4-5H,3,15H2,1H3.
What are the key properties of 2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine?
2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine has a molecular weight of 278.67 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine is sourced from PubChem (CID 62676097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).