8-(1-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C11H13F3N6 — CID 102792241

IUPAC8-(1-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCn1cc(C2NCCn3c(CC(F)(F)F)nnc32)cn1
InChIInChI=1S/C11H13F3N6/c1-19-6-7(5-16-19)9-10-18-17-8(4-11(12,13)14)20(10)3-2-15-9/h5-6,9,15H,2-4H2,1H3
InChIKeyZESVYCDUYXRUCB-UHFFFAOYSA-N
MW286.26 g/mol
LogP0.81
Rot. Bonds2

About 8-(1-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

8-(1-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 102792241) has the molecular formula C11H13F3N6 and a molecular weight of 286.26 g/mol. Its IUPAC name is 8-(1-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-(1-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID102792241
Molecular FormulaC11H13F3N6
Molecular Weight286.26 g/mol
Exact Mass286.12
IUPAC Name8-(1-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCn1cc(C2NCCn3c(CC(F)(F)F)nnc32)cn1
InChIInChI=1S/C11H13F3N6/c1-19-6-7(5-16-19)9-10-18-17-8(4-11(12,13)14)20(10)3-2-15-9/h5-6,9,15H,2-4H2,1H3
InChIKeyZESVYCDUYXRUCB-UHFFFAOYSA-N
XLogP0.81
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(1-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-(1-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 102792241) is 8-(1-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-(1-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-(1-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is Cn1cc(C2NCCn3c(CC(F)(F)F)nnc32)cn1.
What is the InChIKey of 8-(1-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is ZESVYCDUYXRUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6/c1-19-6-7(5-16-19)9-10-18-17-8(4-11(12,13)14)20(10)3-2-15-9/h5-6,9,15H,2-4H2,1H3.
What are the key properties of 8-(1-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
8-(1-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 286.26 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 102792241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).