(2R)-1-[[6-bromo-5-(trifluoromethyl)-1,2,4-triazin-3-yl]amino]propan-2-ol

C7H8BrF3N4O — CID 171763541

IUPAC(2R)-1-[[6-bromo-5-(trifluoromethyl)-1,2,4-triazin-3-yl]amino]propan-2-ol
SMILESC[C@@H](O)CNc1nnc(Br)c(C(F)(F)F)n1
InChIInChI=1S/C7H8BrF3N4O/c1-3(16)2-12-6-13-4(7(9,10)11)5(8)14-15-6/h3,16H,2H2,1H3,(H,12,13,15)/t3-/m1/s1
InChIKeyLTXQSCYFJRSRTN-GSVOUGTGSA-N
MW301.07 g/mol
LogP1.45
Rot. Bonds3

About (2R)-1-[[6-bromo-5-(trifluoromethyl)-1,2,4-triazin-3-yl]amino]propan-2-ol

(2R)-1-[[6-bromo-5-(trifluoromethyl)-1,2,4-triazin-3-yl]amino]propan-2-ol (PubChem CID 171763541) has the molecular formula C7H8BrF3N4O and a molecular weight of 301.07 g/mol. Its IUPAC name is (2R)-1-[[6-bromo-5-(trifluoromethyl)-1,2,4-triazin-3-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[6-bromo-5-(trifluoromethyl)-1,2,4-triazin-3-yl]amino]propan-2-ol
PubChem CID171763541
Molecular FormulaC7H8BrF3N4O
Molecular Weight301.07 g/mol
Exact Mass299.98
IUPAC Name(2R)-1-[[6-bromo-5-(trifluoromethyl)-1,2,4-triazin-3-yl]amino]propan-2-ol
SMILESC[C@@H](O)CNc1nnc(Br)c(C(F)(F)F)n1
InChIInChI=1S/C7H8BrF3N4O/c1-3(16)2-12-6-13-4(7(9,10)11)5(8)14-15-6/h3,16H,2H2,1H3,(H,12,13,15)/t3-/m1/s1
InChIKeyLTXQSCYFJRSRTN-GSVOUGTGSA-N
XLogP1.45
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.07
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[6-bromo-5-(trifluoromethyl)-1,2,4-triazin-3-yl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[[6-bromo-5-(trifluoromethyl)-1,2,4-triazin-3-yl]amino]propan-2-ol (CID 171763541) is (2R)-1-[[6-bromo-5-(trifluoromethyl)-1,2,4-triazin-3-yl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[6-bromo-5-(trifluoromethyl)-1,2,4-triazin-3-yl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[[6-bromo-5-(trifluoromethyl)-1,2,4-triazin-3-yl]amino]propan-2-ol is C[C@@H](O)CNc1nnc(Br)c(C(F)(F)F)n1.
What is the InChIKey of (2R)-1-[[6-bromo-5-(trifluoromethyl)-1,2,4-triazin-3-yl]amino]propan-2-ol?
The InChIKey is LTXQSCYFJRSRTN-GSVOUGTGSA-N. The full InChI is InChI=1S/C7H8BrF3N4O/c1-3(16)2-12-6-13-4(7(9,10)11)5(8)14-15-6/h3,16H,2H2,1H3,(H,12,13,15)/t3-/m1/s1.
What are the key properties of (2R)-1-[[6-bromo-5-(trifluoromethyl)-1,2,4-triazin-3-yl]amino]propan-2-ol?
(2R)-1-[[6-bromo-5-(trifluoromethyl)-1,2,4-triazin-3-yl]amino]propan-2-ol has a molecular weight of 301.07 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[6-bromo-5-(trifluoromethyl)-1,2,4-triazin-3-yl]amino]propan-2-ol is sourced from PubChem (CID 171763541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).