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

C9H8ClF3N4 — CID 7131386

IUPAC(1S)-1-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanamine
SMILESC[C@H](N)c1nnc2c(Cl)cc(C(F)(F)F)cn12
InChIInChI=1S/C9H8ClF3N4/c1-4(14)7-15-16-8-6(10)2-5(3-17(7)8)9(11,12)13/h2-4H,14H2,1H3/t4-/m0/s1
InChIKeyYLWFVXQIWVVTCX-BYPYZUCNSA-N
MW264.64 g/mol
LogP2.42
Rot. Bonds1

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

(1S)-1-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanamine (PubChem CID 7131386) has the molecular formula C9H8ClF3N4 and a molecular weight of 264.64 g/mol. Its IUPAC name is (1S)-1-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanamine
PubChem CID7131386
Molecular FormulaC9H8ClF3N4
Molecular Weight264.64 g/mol
Exact Mass264.04
IUPAC Name(1S)-1-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanamine
SMILESC[C@H](N)c1nnc2c(Cl)cc(C(F)(F)F)cn12
InChIInChI=1S/C9H8ClF3N4/c1-4(14)7-15-16-8-6(10)2-5(3-17(7)8)9(11,12)13/h2-4H,14H2,1H3/t4-/m0/s1
InChIKeyYLWFVXQIWVVTCX-BYPYZUCNSA-N
XLogP2.42
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.64
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanamine?
The IUPAC name of (1S)-1-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanamine (CID 7131386) is (1S)-1-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanamine.
What is the SMILES notation for (1S)-1-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanamine?
The canonical SMILES for (1S)-1-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanamine is C[C@H](N)c1nnc2c(Cl)cc(C(F)(F)F)cn12.
What is the InChIKey of (1S)-1-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanamine?
The InChIKey is YLWFVXQIWVVTCX-BYPYZUCNSA-N. The full InChI is InChI=1S/C9H8ClF3N4/c1-4(14)7-15-16-8-6(10)2-5(3-17(7)8)9(11,12)13/h2-4H,14H2,1H3/t4-/m0/s1.
What are the key properties of (1S)-1-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanamine?
(1S)-1-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanamine has a molecular weight of 264.64 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanamine is sourced from PubChem (CID 7131386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).