2,5-dimethyl-1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]hexan-2-ol

C14H20F3N5O — CID 56794952

IUPAC2,5-dimethyl-1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]hexan-2-ol
SMILESCC(C)CCC(C)(O)CNc1cc(C(F)(F)F)nc2ncnn12
InChIInChI=1S/C14H20F3N5O/c1-9(2)4-5-13(3,23)7-18-11-6-10(14(15,16)17)21-12-19-8-20-22(11)12/h6,8-9,18,23H,4-5,7H2,1-3H3
InChIKeyAJGNEPNASVADPV-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.74
Rot. Bonds6

About 2,5-dimethyl-1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]hexan-2-ol

2,5-dimethyl-1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]hexan-2-ol (PubChem CID 56794952) has the molecular formula C14H20F3N5O and a molecular weight of 331.34 g/mol. Its IUPAC name is 2,5-dimethyl-1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]hexan-2-ol.

Molecular Properties

Compound Name2,5-dimethyl-1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]hexan-2-ol
PubChem CID56794952
Molecular FormulaC14H20F3N5O
Molecular Weight331.34 g/mol
Exact Mass331.16
IUPAC Name2,5-dimethyl-1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]hexan-2-ol
SMILESCC(C)CCC(C)(O)CNc1cc(C(F)(F)F)nc2ncnn12
InChIInChI=1S/C14H20F3N5O/c1-9(2)4-5-13(3,23)7-18-11-6-10(14(15,16)17)21-12-19-8-20-22(11)12/h6,8-9,18,23H,4-5,7H2,1-3H3
InChIKeyAJGNEPNASVADPV-UHFFFAOYSA-N
XLogP2.74
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]hexan-2-ol?
The IUPAC name of 2,5-dimethyl-1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]hexan-2-ol (CID 56794952) is 2,5-dimethyl-1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]hexan-2-ol.
What is the SMILES notation for 2,5-dimethyl-1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]hexan-2-ol?
The canonical SMILES for 2,5-dimethyl-1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]hexan-2-ol is CC(C)CCC(C)(O)CNc1cc(C(F)(F)F)nc2ncnn12.
What is the InChIKey of 2,5-dimethyl-1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]hexan-2-ol?
The InChIKey is AJGNEPNASVADPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N5O/c1-9(2)4-5-13(3,23)7-18-11-6-10(14(15,16)17)21-12-19-8-20-22(11)12/h6,8-9,18,23H,4-5,7H2,1-3H3.
What are the key properties of 2,5-dimethyl-1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]hexan-2-ol?
2,5-dimethyl-1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]hexan-2-ol has a molecular weight of 331.34 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]hexan-2-ol is sourced from PubChem (CID 56794952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).