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

C9H14F3N3O3 — CID 103213631

IUPAC[4-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol
SMILESCOCCn1c(CO)nnc1COCC(F)(F)F
InChIInChI=1S/C9H14F3N3O3/c1-17-3-2-15-7(4-16)13-14-8(15)5-18-6-9(10,11)12/h16H,2-6H2,1H3
InChIKeyGNRJWOSCNMSQHL-UHFFFAOYSA-N
MW269.22 g/mol
LogP0.50
Rot. Bonds7

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

[4-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 103213631) has the molecular formula C9H14F3N3O3 and a molecular weight of 269.22 g/mol. Its IUPAC name is [4-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol
PubChem CID103213631
Molecular FormulaC9H14F3N3O3
Molecular Weight269.22 g/mol
Exact Mass269.10
IUPAC Name[4-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol
SMILESCOCCn1c(CO)nnc1COCC(F)(F)F
InChIInChI=1S/C9H14F3N3O3/c1-17-3-2-15-7(4-16)13-14-8(15)5-18-6-9(10,11)12/h16H,2-6H2,1H3
InChIKeyGNRJWOSCNMSQHL-UHFFFAOYSA-N
XLogP0.50
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol with MolForge

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Related Compounds

(dimethyl-4H-1,2,4-triazol-3-yl)methanol
CID 18726738
(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-Ethyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 126712835
[5-(Difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]methanol
CID 156298868
(4-(2-((tert-Butyldimethylsilyl)oxy)ethyl)-5-(difluoromethyl)-4H-1,2,4-triazol-3-yl)methanol
CID 168206378

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol (CID 103213631) is [4-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol is COCCn1c(CO)nnc1COCC(F)(F)F.
What is the InChIKey of [4-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is GNRJWOSCNMSQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O3/c1-17-3-2-15-7(4-16)13-14-8(15)5-18-6-9(10,11)12/h16H,2-6H2,1H3.
What are the key properties of [4-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol?
[4-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 269.22 g/mol, XLogP of 0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103213631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).