7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C12H10F3N7 — CID 163350385

IUPAC7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(F)c1nnc2n1CCN(c1ncnc3[nH]ccc13)C2
InChIInChI=1S/C12H10F3N7/c13-12(14,15)11-20-19-8-5-21(3-4-22(8)11)10-7-1-2-16-9(7)17-6-18-10/h1-2,6H,3-5H2,(H,16,17,18)
InChIKeyNQGTYMLURUFTLR-UHFFFAOYSA-N
MW309.26 g/mol
LogP1.59
Rot. Bonds1

About 7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 163350385) has the molecular formula C12H10F3N7 and a molecular weight of 309.26 g/mol. Its IUPAC name is 7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID163350385
Molecular FormulaC12H10F3N7
Molecular Weight309.26 g/mol
Exact Mass309.09
IUPAC Name7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(F)c1nnc2n1CCN(c1ncnc3[nH]ccc13)C2
InChIInChI=1S/C12H10F3N7/c13-12(14,15)11-20-19-8-5-21(3-4-22(8)11)10-7-1-2-16-9(7)17-6-18-10/h1-2,6H,3-5H2,(H,16,17,18)
InChIKeyNQGTYMLURUFTLR-UHFFFAOYSA-N
XLogP1.59
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 163350385) is 7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is FC(F)(F)c1nnc2n1CCN(c1ncnc3[nH]ccc13)C2.
What is the InChIKey of 7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is NQGTYMLURUFTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N7/c13-12(14,15)11-20-19-8-5-21(3-4-22(8)11)10-7-1-2-16-9(7)17-6-18-10/h1-2,6H,3-5H2,(H,16,17,18).
What are the key properties of 7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 309.26 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 163350385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).