3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridin-2-amine

C11H11F3N6 — CID 104540459

IUPAC3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridin-2-amine
SMILESNc1ncccc1N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H11F3N6/c12-11(13,14)10-18-17-8-6-19(4-5-20(8)10)7-2-1-3-16-9(7)15/h1-3H,4-6H2,(H2,15,16)
InChIKeyROPWPTFGTZGENQ-UHFFFAOYSA-N
MW284.24 g/mol
LogP1.29
Rot. Bonds1

About 3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridin-2-amine

3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridin-2-amine (PubChem CID 104540459) has the molecular formula C11H11F3N6 and a molecular weight of 284.24 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridin-2-amine
PubChem CID104540459
Molecular FormulaC11H11F3N6
Molecular Weight284.24 g/mol
Exact Mass284.10
IUPAC Name3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridin-2-amine
SMILESNc1ncccc1N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H11F3N6/c12-11(13,14)10-18-17-8-6-19(4-5-20(8)10)7-2-1-3-16-9(7)15/h1-3H,4-6H2,(H2,15,16)
InChIKeyROPWPTFGTZGENQ-UHFFFAOYSA-N
XLogP1.29
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridin-2-amine?
The IUPAC name of 3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridin-2-amine (CID 104540459) is 3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridin-2-amine is Nc1ncccc1N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridin-2-amine?
The InChIKey is ROPWPTFGTZGENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N6/c12-11(13,14)10-18-17-8-6-19(4-5-20(8)10)7-2-1-3-16-9(7)15/h1-3H,4-6H2,(H2,15,16).
What are the key properties of 3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridin-2-amine?
3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridin-2-amine has a molecular weight of 284.24 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridin-2-amine is sourced from PubChem (CID 104540459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).