2-(methylamino)-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol

C9H10F3N5O — CID 84806721

IUPAC2-(methylamino)-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol
SMILESCNCC(O)c1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C9H10F3N5O/c1-13-3-6(18)5-2-14-8-15-7(9(10,11)12)16-17(8)4-5/h2,4,6,13,18H,3H2,1H3
InChIKeyHKEHPLUWKWDLPK-UHFFFAOYSA-N
MW261.21 g/mol
LogP0.40
Rot. Bonds3

About 2-(methylamino)-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol

2-(methylamino)-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol (PubChem CID 84806721) has the molecular formula C9H10F3N5O and a molecular weight of 261.21 g/mol. Its IUPAC name is 2-(methylamino)-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol.

Molecular Properties

Compound Name2-(methylamino)-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol
PubChem CID84806721
Molecular FormulaC9H10F3N5O
Molecular Weight261.21 g/mol
Exact Mass261.08
IUPAC Name2-(methylamino)-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol
SMILESCNCC(O)c1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C9H10F3N5O/c1-13-3-6(18)5-2-14-8-15-7(9(10,11)12)16-17(8)4-5/h2,4,6,13,18H,3H2,1H3
InChIKeyHKEHPLUWKWDLPK-UHFFFAOYSA-N
XLogP0.40
TPSA75.34 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 ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
N-methyl-2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine
CID 84728418
[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanol
CID 84785926
2-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine
CID 84794146
N-methyl-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine
CID 84802830
2-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-amine
CID 84802832
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
2-(Methylamino)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanol
CID 84806565
3-Amino-3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol
CID 84806722
3-Amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol
CID 84806723

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol?
The IUPAC name of 2-(methylamino)-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol (CID 84806721) is 2-(methylamino)-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol.
What is the SMILES notation for 2-(methylamino)-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol?
The canonical SMILES for 2-(methylamino)-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol is CNCC(O)c1cnc2nc(C(F)(F)F)nn2c1.
What is the InChIKey of 2-(methylamino)-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol?
The InChIKey is HKEHPLUWKWDLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5O/c1-13-3-6(18)5-2-14-8-15-7(9(10,11)12)16-17(8)4-5/h2,4,6,13,18H,3H2,1H3.
What are the key properties of 2-(methylamino)-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol?
2-(methylamino)-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol has a molecular weight of 261.21 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanol is sourced from PubChem (CID 84806721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).