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

C11H10ClF3N4 — CID 81161102

IUPAC1-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutan-1-amine
SMILESNC1(c2nnc3c(Cl)cc(C(F)(F)F)cn23)CCC1
InChIInChI=1S/C11H10ClF3N4/c12-7-4-6(11(13,14)15)5-19-8(7)17-18-9(19)10(16)2-1-3-10/h4-5H,1-3,16H2
InChIKeyZPDYRORAMXDBGR-UHFFFAOYSA-N
MW290.68 g/mol
LogP2.74
Rot. Bonds1

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

1-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutan-1-amine (PubChem CID 81161102) has the molecular formula C11H10ClF3N4 and a molecular weight of 290.68 g/mol. Its IUPAC name is 1-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutan-1-amine
PubChem CID81161102
Molecular FormulaC11H10ClF3N4
Molecular Weight290.68 g/mol
Exact Mass290.05
IUPAC Name1-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutan-1-amine
SMILESNC1(c2nnc3c(Cl)cc(C(F)(F)F)cn23)CCC1
InChIInChI=1S/C11H10ClF3N4/c12-7-4-6(11(13,14)15)5-19-8(7)17-18-9(19)10(16)2-1-3-10/h4-5H,1-3,16H2
InChIKeyZPDYRORAMXDBGR-UHFFFAOYSA-N
XLogP2.74
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutan-1-amine (CID 81161102) is 1-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutan-1-amine is NC1(c2nnc3c(Cl)cc(C(F)(F)F)cn23)CCC1.
What is the InChIKey of 1-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutan-1-amine?
The InChIKey is ZPDYRORAMXDBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N4/c12-7-4-6(11(13,14)15)5-19-8(7)17-18-9(19)10(16)2-1-3-10/h4-5H,1-3,16H2.
What are the key properties of 1-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutan-1-amine?
1-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutan-1-amine has a molecular weight of 290.68 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 81161102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).