3-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine

C16H11F3N10 — CID 53261807

IUPAC3-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine
SMILESFC(F)(F)Cn1cc(-c2cnc3nnn(Cc4ccc5ncnn5c4)c3n2)cn1
InChIInChI=1S/C16H11F3N10/c17-16(18,19)8-27-7-11(3-22-27)12-4-20-14-15(24-12)29(26-25-14)6-10-1-2-13-21-9-23-28(13)5-10/h1-5,7,9H,6,8H2
InChIKeyAQCJZJRWKLOTCI-UHFFFAOYSA-N
MW400.33 g/mol
LogP1.74
Rot. Bonds4

About 3-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine

3-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine (PubChem CID 53261807) has the molecular formula C16H11F3N10 and a molecular weight of 400.33 g/mol. Its IUPAC name is 3-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine.

Molecular Properties

Compound Name3-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine
PubChem CID53261807
Molecular FormulaC16H11F3N10
Molecular Weight400.33 g/mol
Exact Mass400.11
IUPAC Name3-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine
SMILESFC(F)(F)Cn1cc(-c2cnc3nnn(Cc4ccc5ncnn5c4)c3n2)cn1
InChIInChI=1S/C16H11F3N10/c17-16(18,19)8-27-7-11(3-22-27)12-4-20-14-15(24-12)29(26-25-14)6-10-1-2-13-21-9-23-28(13)5-10/h1-5,7,9H,6,8H2
InChIKeyAQCJZJRWKLOTCI-UHFFFAOYSA-N
XLogP1.74
TPSA104.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.33
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine?
The IUPAC name of 3-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine (CID 53261807) is 3-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine.
What is the SMILES notation for 3-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine?
The canonical SMILES for 3-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine is FC(F)(F)Cn1cc(-c2cnc3nnn(Cc4ccc5ncnn5c4)c3n2)cn1.
What is the InChIKey of 3-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine?
The InChIKey is AQCJZJRWKLOTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N10/c17-16(18,19)8-27-7-11(3-22-27)12-4-20-14-15(24-12)29(26-25-14)6-10-1-2-13-21-9-23-28(13)5-10/h1-5,7,9H,6,8H2.
What are the key properties of 3-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine?
3-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine has a molecular weight of 400.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine is sourced from PubChem (CID 53261807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).