1,1,1-trifluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol

C8H13F3N4O — CID 63899230

IUPAC1,1,1-trifluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
SMILESCC(NCC(O)C(F)(F)F)c1nncn1C
InChIInChI=1S/C8H13F3N4O/c1-5(7-14-13-4-15(7)2)12-3-6(16)8(9,10)11/h4-6,12,16H,3H2,1-2H3
InChIKeyANXDKQKJBKOKNA-UHFFFAOYSA-N
MW238.21 g/mol
LogP0.39
Rot. Bonds4

About 1,1,1-trifluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol

1,1,1-trifluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol (PubChem CID 63899230) has the molecular formula C8H13F3N4O and a molecular weight of 238.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
PubChem CID63899230
Molecular FormulaC8H13F3N4O
Molecular Weight238.21 g/mol
Exact Mass238.10
IUPAC Name1,1,1-trifluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
SMILESCC(NCC(O)C(F)(F)F)c1nncn1C
InChIInChI=1S/C8H13F3N4O/c1-5(7-14-13-4-15(7)2)12-3-6(16)8(9,10)11/h4-6,12,16H,3H2,1-2H3
InChIKeyANXDKQKJBKOKNA-UHFFFAOYSA-N
XLogP0.39
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol (CID 63899230) is 1,1,1-trifluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol is CC(NCC(O)C(F)(F)F)c1nncn1C.
What is the InChIKey of 1,1,1-trifluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol?
The InChIKey is ANXDKQKJBKOKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4O/c1-5(7-14-13-4-15(7)2)12-3-6(16)8(9,10)11/h4-6,12,16H,3H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol?
1,1,1-trifluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol has a molecular weight of 238.21 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 63899230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).