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

C11H13F3N6S — CID 65482914

IUPAC4-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCN2CCn3c(nnc3C(F)(F)F)C2)cs1
InChIInChI=1S/C11H13F3N6S/c12-11(13,14)9-18-17-8-5-19(3-4-20(8)9)2-1-7-6-21-10(15)16-7/h6H,1-5H2,(H2,15,16)
InChIKeyQFGYGMICZLAYHK-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.39
Rot. Bonds3

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

4-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]-1,3-thiazol-2-amine (PubChem CID 65482914) has the molecular formula C11H13F3N6S and a molecular weight of 318.33 g/mol. Its IUPAC name is 4-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]-1,3-thiazol-2-amine
PubChem CID65482914
Molecular FormulaC11H13F3N6S
Molecular Weight318.33 g/mol
Exact Mass318.09
IUPAC Name4-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCN2CCn3c(nnc3C(F)(F)F)C2)cs1
InChIInChI=1S/C11H13F3N6S/c12-11(13,14)9-18-17-8-5-19(3-4-20(8)9)2-1-7-6-21-10(15)16-7/h6H,1-5H2,(H2,15,16)
InChIKeyQFGYGMICZLAYHK-UHFFFAOYSA-N
XLogP1.39
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]-1,3-thiazol-2-amine (CID 65482914) is 4-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]-1,3-thiazol-2-amine is Nc1nc(CCN2CCn3c(nnc3C(F)(F)F)C2)cs1.
What is the InChIKey of 4-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]-1,3-thiazol-2-amine?
The InChIKey is QFGYGMICZLAYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6S/c12-11(13,14)9-18-17-8-5-19(3-4-20(8)9)2-1-7-6-21-10(15)16-7/h6H,1-5H2,(H2,15,16).
What are the key properties of 4-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]-1,3-thiazol-2-amine?
4-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]-1,3-thiazol-2-amine has a molecular weight of 318.33 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 65482914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).