[4-methyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol

C7H10F3N3O2 — CID 103213644

IUPAC[4-methyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1COCC(F)(F)F
InChIInChI=1S/C7H10F3N3O2/c1-13-5(2-14)11-12-6(13)3-15-4-7(8,9)10/h14H,2-4H2,1H3
InChIKeyAYQBGPFSJOHNQF-UHFFFAOYSA-N
MW225.17 g/mol
LogP0.39
Rot. Bonds4

About [4-methyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol

[4-methyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 103213644) has the molecular formula C7H10F3N3O2 and a molecular weight of 225.17 g/mol. Its IUPAC name is [4-methyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-methyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol
PubChem CID103213644
Molecular FormulaC7H10F3N3O2
Molecular Weight225.17 g/mol
Exact Mass225.07
IUPAC Name[4-methyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1COCC(F)(F)F
InChIInChI=1S/C7H10F3N3O2/c1-13-5(2-14)11-12-6(13)3-15-4-7(8,9)10/h14H,2-4H2,1H3
InChIKeyAYQBGPFSJOHNQF-UHFFFAOYSA-N
XLogP0.39
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(dimethyl-4H-1,2,4-triazol-3-yl)methanol
CID 18726738
(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 53613687
(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)methanol
CID 71757591
(4-(2,2,2-trifluoroethyl)-4H-1,2,4-triazol-3-yl)methanol
CID 81665545
{5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl}methanol
CID 91647478
[1-methyl-3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methanol
CID 165997726
[5-Methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 68355492
[4-Methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]methanol
CID 97619252
[5-(Difluoromethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 115395995
(5-(Difluoromethyl)-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 121597947
[5-(Difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]methanol
CID 156298868
3-Chloro-5-ethyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazole
CID 63827795

Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-methyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol (CID 103213644) is [4-methyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-methyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-methyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol is Cn1c(CO)nnc1COCC(F)(F)F.
What is the InChIKey of [4-methyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is AYQBGPFSJOHNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O2/c1-13-5(2-14)11-12-6(13)3-15-4-7(8,9)10/h14H,2-4H2,1H3.
What are the key properties of [4-methyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol?
[4-methyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 225.17 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103213644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).