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

C9H10F3N5O — CID 84806724

IUPAC2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol
SMILESCC(N)C(O)c1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C9H10F3N5O/c1-4(13)6(18)5-2-14-8-15-7(9(10,11)12)16-17(8)3-5/h2-4,6,18H,13H2,1H3
InChIKeyYQNGRCNVSNRQJF-UHFFFAOYSA-N
MW261.21 g/mol
LogP0.52
Rot. Bonds2

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

2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol (PubChem CID 84806724) has the molecular formula C9H10F3N5O and a molecular weight of 261.21 g/mol. Its IUPAC name is 2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol.

Molecular Properties

Compound Name2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol
PubChem CID84806724
Molecular FormulaC9H10F3N5O
Molecular Weight261.21 g/mol
Exact Mass261.08
IUPAC Name2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol
SMILESCC(N)C(O)c1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C9H10F3N5O/c1-4(13)6(18)5-2-14-8-15-7(9(10,11)12)16-17(8)3-5/h2-4,6,18H,13H2,1H3
InChIKeyYQNGRCNVSNRQJF-UHFFFAOYSA-N
XLogP0.52
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol with MolForge

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Related Compounds

1-[2-Methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propan-1-ol
CID 24874171
1-[6-Butan-2-yl-5-chloro-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol
CID 89292551
1-(6-Fluoropyrazolo[1,5-a]pyrimidin-3-yl)butan-1-ol
CID 91149484
3-(4-Aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,1-difluoropropan-2-ol
CID 130427368
1-(4-Aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-fluoropropan-2-ol
CID 130427715
1-[6-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-amine
CID 84728419
N-methyl-1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-amine
CID 84729456
1-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropan-1-ol
CID 84802568
3-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-amine
CID 84802831
2-Amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanol
CID 84803155
2-Amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol
CID 84803300
2-Amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol
CID 84803301

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol?
The IUPAC name of 2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol (CID 84806724) is 2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol.
What is the SMILES notation for 2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol?
The canonical SMILES for 2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol is CC(N)C(O)c1cnc2nc(C(F)(F)F)nn2c1.
What is the InChIKey of 2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol?
The InChIKey is YQNGRCNVSNRQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5O/c1-4(13)6(18)5-2-14-8-15-7(9(10,11)12)16-17(8)3-5/h2-4,6,18H,13H2,1H3.
What are the key properties of 2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol?
2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol has a molecular weight of 261.21 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol is sourced from PubChem (CID 84806724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).