2,2,2-trifluoro-N-(6-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide

C12H11F3N6O — CID 110455784

IUPAC2,2,2-trifluoro-N-(6-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide
SMILESO=C(Nc1nc2n(n1)CC(c1cncnc1)CC2)C(F)(F)F
InChIInChI=1S/C12H11F3N6O/c13-12(14,15)10(22)19-11-18-9-2-1-7(5-21(9)20-11)8-3-16-6-17-4-8/h3-4,6-7H,1-2,5H2,(H,19,20,22)
InChIKeyWGVPRQVYAFIKDJ-UHFFFAOYSA-N
MW312.26 g/mol
LogP1.30
Rot. Bonds2

About 2,2,2-trifluoro-N-(6-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide

2,2,2-trifluoro-N-(6-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide (PubChem CID 110455784) has the molecular formula C12H11F3N6O and a molecular weight of 312.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(6-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(6-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide
PubChem CID110455784
Molecular FormulaC12H11F3N6O
Molecular Weight312.26 g/mol
Exact Mass312.09
IUPAC Name2,2,2-trifluoro-N-(6-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide
SMILESO=C(Nc1nc2n(n1)CC(c1cncnc1)CC2)C(F)(F)F
InChIInChI=1S/C12H11F3N6O/c13-12(14,15)10(22)19-11-18-9-2-1-7(5-21(9)20-11)8-3-16-6-17-4-8/h3-4,6-7H,1-2,5H2,(H,19,20,22)
InChIKeyWGVPRQVYAFIKDJ-UHFFFAOYSA-N
XLogP1.30
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(6-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(6-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide (CID 110455784) is 2,2,2-trifluoro-N-(6-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(6-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(6-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide is O=C(Nc1nc2n(n1)CC(c1cncnc1)CC2)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(6-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide?
The InChIKey is WGVPRQVYAFIKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N6O/c13-12(14,15)10(22)19-11-18-9-2-1-7(5-21(9)20-11)8-3-16-6-17-4-8/h3-4,6-7H,1-2,5H2,(H,19,20,22).
What are the key properties of 2,2,2-trifluoro-N-(6-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide?
2,2,2-trifluoro-N-(6-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide has a molecular weight of 312.26 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(6-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 110455784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).