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

C9H8ClF3N4 — CID 3746785

IUPAC8-chloro-N,N-dimethyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESCN(C)c1nnc2c(Cl)cc(C(F)(F)F)cn12
InChIInChI=1S/C9H8ClF3N4/c1-16(2)8-15-14-7-6(10)3-5(4-17(7)8)9(11,12)13/h3-4H,1-2H3
InChIKeyZUZSHTNESVAYSO-UHFFFAOYSA-N
MW264.64 g/mol
LogP2.47
Rot. Bonds1

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

8-chloro-N,N-dimethyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine (PubChem CID 3746785) has the molecular formula C9H8ClF3N4 and a molecular weight of 264.64 g/mol. Its IUPAC name is 8-chloro-N,N-dimethyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine.

Molecular Properties

Compound Name8-chloro-N,N-dimethyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine
PubChem CID3746785
Molecular FormulaC9H8ClF3N4
Molecular Weight264.64 g/mol
Exact Mass264.04
IUPAC Name8-chloro-N,N-dimethyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESCN(C)c1nnc2c(Cl)cc(C(F)(F)F)cn12
InChIInChI=1S/C9H8ClF3N4/c1-16(2)8-15-14-7-6(10)3-5(4-17(7)8)9(11,12)13/h3-4H,1-2H3
InChIKeyZUZSHTNESVAYSO-UHFFFAOYSA-N
XLogP2.47
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.64
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N,N-dimethyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The IUPAC name of 8-chloro-N,N-dimethyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine (CID 3746785) is 8-chloro-N,N-dimethyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine.
What is the SMILES notation for 8-chloro-N,N-dimethyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The canonical SMILES for 8-chloro-N,N-dimethyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine is CN(C)c1nnc2c(Cl)cc(C(F)(F)F)cn12.
What is the InChIKey of 8-chloro-N,N-dimethyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The InChIKey is ZUZSHTNESVAYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N4/c1-16(2)8-15-14-7-6(10)3-5(4-17(7)8)9(11,12)13/h3-4H,1-2H3.
What are the key properties of 8-chloro-N,N-dimethyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
8-chloro-N,N-dimethyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine has a molecular weight of 264.64 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N,N-dimethyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine is sourced from PubChem (CID 3746785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).