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

C9H10F3N5O — CID 84806723

IUPAC3-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol
SMILESNCCC(O)c1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C9H10F3N5O/c10-9(11,12)7-15-8-14-3-5(4-17(8)16-7)6(18)1-2-13/h3-4,6,18H,1-2,13H2
InChIKeyVHZOCWPLABFSGB-UHFFFAOYSA-N
MW261.21 g/mol
LogP0.53
Rot. Bonds3

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

3-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol (PubChem CID 84806723) has the molecular formula C9H10F3N5O and a molecular weight of 261.21 g/mol. Its IUPAC name is 3-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol
PubChem CID84806723
Molecular FormulaC9H10F3N5O
Molecular Weight261.21 g/mol
Exact Mass261.08
IUPAC Name3-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol
SMILESNCCC(O)c1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C9H10F3N5O/c10-9(11,12)7-15-8-14-3-5(4-17(8)16-7)6(18)1-2-13/h3-4,6,18H,1-2,13H2
InChIKeyVHZOCWPLABFSGB-UHFFFAOYSA-N
XLogP0.53
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-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-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine
CID 84794145
6-piperazin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 84809799
2-(2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanamine
CID 84786911
1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile
CID 84808052
4-bromo-1-[2-(trifluoromethyl)pyrimidin-5-yl]butane-1,2-diol
CID 171892373
4-amino-1-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]butane-1,2-diol
CID 171881977
2-amino-2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid
CID 84787761
(1S)-3-amino-1-(3-chloro-4-fluorophenyl)propan-1-ol
CID 96845808
1-[7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 2041236
2-amino-1-(2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanol
CID 83896171
2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 105490436
(1R)-3-amino-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-ol
CID 96888684

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol?
The IUPAC name of 3-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol (CID 84806723) is 3-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol.
What is the SMILES notation for 3-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol?
The canonical SMILES for 3-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol is NCCC(O)c1cnc2nc(C(F)(F)F)nn2c1.
What is the InChIKey of 3-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol?
The InChIKey is VHZOCWPLABFSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5O/c10-9(11,12)7-15-8-14-3-5(4-17(8)16-7)6(18)1-2-13/h3-4,6,18H,1-2,13H2.
What are the key properties of 3-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol?
3-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 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol is sourced from PubChem (CID 84806723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).