[5-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol

C8H12F3N3O — CID 129190894

IUPAC[5-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol
SMILESCC(C)c1nc(CO)nn1CC(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-5(2)7-12-6(3-15)13-14(7)4-8(9,10)11/h5,15H,3-4H2,1-2H3
InChIKeyXSIKNPVITLPPOU-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.46
Rot. Bonds3

About [5-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol

[5-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 129190894) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is [5-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol
PubChem CID129190894
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name[5-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol
SMILESCC(C)c1nc(CO)nn1CC(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-5(2)7-12-6(3-15)13-14(7)4-8(9,10)11/h5,15H,3-4H2,1-2H3
InChIKeyXSIKNPVITLPPOU-UHFFFAOYSA-N
XLogP1.46
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol (CID 129190894) is [5-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol is CC(C)c1nc(CO)nn1CC(F)(F)F.
What is the InChIKey of [5-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is XSIKNPVITLPPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-5(2)7-12-6(3-15)13-14(7)4-8(9,10)11/h5,15H,3-4H2,1-2H3.
What are the key properties of [5-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol?
[5-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 223.20 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 129190894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).