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

C11H11F3N6 — CID 64575961

IUPAC2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridin-4-amine
SMILESNc1ccnc(N2CCn3c(nnc3C(F)(F)F)C2)c1
InChIInChI=1S/C11H11F3N6/c12-11(13,14)10-18-17-9-6-19(3-4-20(9)10)8-5-7(15)1-2-16-8/h1-2,5H,3-4,6H2,(H2,15,16)
InChIKeyFAXKECNXWHAMNE-UHFFFAOYSA-N
MW284.25 g/mol
LogP1.29
Rot. Bonds1

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

2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridin-4-amine (PubChem CID 64575961) has the molecular formula C11H11F3N6 and a molecular weight of 284.25 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridin-4-amine.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridin-4-amine
PubChem CID64575961
Molecular FormulaC11H11F3N6
Molecular Weight284.25 g/mol
Exact Mass284.10
IUPAC Name2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridin-4-amine
SMILESNc1ccnc(N2CCn3c(nnc3C(F)(F)F)C2)c1
InChIInChI=1S/C11H11F3N6/c12-11(13,14)10-18-17-9-6-19(3-4-20(9)10)8-5-7(15)1-2-16-8/h1-2,5H,3-4,6H2,(H2,15,16)
InChIKeyFAXKECNXWHAMNE-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 ≤ 500284.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridin-4-amine?
The IUPAC name of 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridin-4-amine (CID 64575961) is 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridin-4-amine.
What is the SMILES notation for 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridin-4-amine?
The canonical SMILES for 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridin-4-amine is Nc1ccnc(N2CCn3c(nnc3C(F)(F)F)C2)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridin-4-amine?
The InChIKey is FAXKECNXWHAMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N6/c12-11(13,14)10-18-17-9-6-19(3-4-20(9)10)8-5-7(15)1-2-16-8/h1-2,5H,3-4,6H2,(H2,15,16).
What are the key properties of 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridin-4-amine?
2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridin-4-amine has a molecular weight of 284.25 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 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridin-4-amine is sourced from PubChem (CID 64575961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).