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

C8H6ClF3N4 — CID 7131258

IUPAC[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine
SMILESNCc1nnc2c(Cl)cc(C(F)(F)F)cn12
InChIInChI=1S/C8H6ClF3N4/c9-5-1-4(8(10,11)12)3-16-6(2-13)14-15-7(5)16/h1,3H,2,13H2
InChIKeyCBRZKSUBDJBKIM-UHFFFAOYSA-N
MW250.61 g/mol
LogP1.86
Rot. Bonds1

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

[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine (PubChem CID 7131258) has the molecular formula C8H6ClF3N4 and a molecular weight of 250.61 g/mol. Its IUPAC name is [8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine
PubChem CID7131258
Molecular FormulaC8H6ClF3N4
Molecular Weight250.61 g/mol
Exact Mass250.02
IUPAC Name[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine
SMILESNCc1nnc2c(Cl)cc(C(F)(F)F)cn12
InChIInChI=1S/C8H6ClF3N4/c9-5-1-4(8(10,11)12)3-16-6(2-13)14-15-7(5)16/h1,3H,2,13H2
InChIKeyCBRZKSUBDJBKIM-UHFFFAOYSA-N
XLogP1.86
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.61
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine?
The IUPAC name of [8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine (CID 7131258) is [8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine.
What is the SMILES notation for [8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine?
The canonical SMILES for [8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine is NCc1nnc2c(Cl)cc(C(F)(F)F)cn12.
What is the InChIKey of [8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine?
The InChIKey is CBRZKSUBDJBKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N4/c9-5-1-4(8(10,11)12)3-16-6(2-13)14-15-7(5)16/h1,3H,2,13H2.
What are the key properties of [8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine?
[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine has a molecular weight of 250.61 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine is sourced from PubChem (CID 7131258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).