3-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol

C9H9F3N4O — CID 3746728

IUPAC3-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol
SMILESOCCCc1cn2ncnc2nc1C(F)(F)F
InChIInChI=1S/C9H9F3N4O/c10-9(11,12)7-6(2-1-3-17)4-16-8(15-7)13-5-14-16/h4-5,17H,1-3H2
InChIKeyYUOJYKRKNSCQNJ-UHFFFAOYSA-N
MW246.19 g/mol
LogP1.07
Rot. Bonds3

About 3-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol

3-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol (PubChem CID 3746728) has the molecular formula C9H9F3N4O and a molecular weight of 246.19 g/mol. Its IUPAC name is 3-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol
PubChem CID3746728
Molecular FormulaC9H9F3N4O
Molecular Weight246.19 g/mol
Exact Mass246.07
IUPAC Name3-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol
SMILESOCCCc1cn2ncnc2nc1C(F)(F)F
InChIInChI=1S/C9H9F3N4O/c10-9(11,12)7-6(2-1-3-17)4-16-8(15-7)13-5-14-16/h4-5,17H,1-3H2
InChIKeyYUOJYKRKNSCQNJ-UHFFFAOYSA-N
XLogP1.07
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol?
The IUPAC name of 3-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol (CID 3746728) is 3-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol?
The canonical SMILES for 3-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol is OCCCc1cn2ncnc2nc1C(F)(F)F.
What is the InChIKey of 3-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol?
The InChIKey is YUOJYKRKNSCQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O/c10-9(11,12)7-6(2-1-3-17)4-16-8(15-7)13-5-14-16/h4-5,17H,1-3H2.
What are the key properties of 3-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol?
3-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol has a molecular weight of 246.19 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol is sourced from PubChem (CID 3746728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).