(2R)-1-[[5-(trifluoromethyl)-1,2,4-triazin-3-yl]amino]propan-2-ol

C7H9F3N4O — CID 166099098

IUPAC(2R)-1-[[5-(trifluoromethyl)-1,2,4-triazin-3-yl]amino]propan-2-ol
SMILESC[C@@H](O)CNc1nncc(C(F)(F)F)n1
InChIInChI=1S/C7H9F3N4O/c1-4(15)2-11-6-13-5(3-12-14-6)7(8,9)10/h3-4,15H,2H2,1H3,(H,11,13,14)/t4-/m1/s1
InChIKeyHTVNCFXMRLXHIQ-SCSAIBSYSA-N
MW222.17 g/mol
LogP0.68
Rot. Bonds3

About (2R)-1-[[5-(trifluoromethyl)-1,2,4-triazin-3-yl]amino]propan-2-ol

(2R)-1-[[5-(trifluoromethyl)-1,2,4-triazin-3-yl]amino]propan-2-ol (PubChem CID 166099098) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is (2R)-1-[[5-(trifluoromethyl)-1,2,4-triazin-3-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[5-(trifluoromethyl)-1,2,4-triazin-3-yl]amino]propan-2-ol
PubChem CID166099098
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name(2R)-1-[[5-(trifluoromethyl)-1,2,4-triazin-3-yl]amino]propan-2-ol
SMILESC[C@@H](O)CNc1nncc(C(F)(F)F)n1
InChIInChI=1S/C7H9F3N4O/c1-4(15)2-11-6-13-5(3-12-14-6)7(8,9)10/h3-4,15H,2H2,1H3,(H,11,13,14)/t4-/m1/s1
InChIKeyHTVNCFXMRLXHIQ-SCSAIBSYSA-N
XLogP0.68
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[5-(trifluoromethyl)-1,2,4-triazin-3-yl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[[5-(trifluoromethyl)-1,2,4-triazin-3-yl]amino]propan-2-ol (CID 166099098) is (2R)-1-[[5-(trifluoromethyl)-1,2,4-triazin-3-yl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[5-(trifluoromethyl)-1,2,4-triazin-3-yl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[[5-(trifluoromethyl)-1,2,4-triazin-3-yl]amino]propan-2-ol is C[C@@H](O)CNc1nncc(C(F)(F)F)n1.
What is the InChIKey of (2R)-1-[[5-(trifluoromethyl)-1,2,4-triazin-3-yl]amino]propan-2-ol?
The InChIKey is HTVNCFXMRLXHIQ-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c1-4(15)2-11-6-13-5(3-12-14-6)7(8,9)10/h3-4,15H,2H2,1H3,(H,11,13,14)/t4-/m1/s1.
What are the key properties of (2R)-1-[[5-(trifluoromethyl)-1,2,4-triazin-3-yl]amino]propan-2-ol?
(2R)-1-[[5-(trifluoromethyl)-1,2,4-triazin-3-yl]amino]propan-2-ol has a molecular weight of 222.17 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[5-(trifluoromethyl)-1,2,4-triazin-3-yl]amino]propan-2-ol is sourced from PubChem (CID 166099098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).