[3-(trifluoromethyl)-1,2,4-triazol-1-yl]methanol

C4H4F3N3O — CID 23149140

IUPAC[3-(trifluoromethyl)-1,2,4-triazol-1-yl]methanol
SMILESOCn1cnc(C(F)(F)F)n1
InChIInChI=1S/C4H4F3N3O/c5-4(6,7)3-8-1-10(2-11)9-3/h1,11H,2H2
InChIKeyLRWQHNBXXMZKAQ-UHFFFAOYSA-N
MW167.09 g/mol
LogP0.25
Rot. Bonds1

About [3-(trifluoromethyl)-1,2,4-triazol-1-yl]methanol

[3-(trifluoromethyl)-1,2,4-triazol-1-yl]methanol (PubChem CID 23149140) has the molecular formula C4H4F3N3O and a molecular weight of 167.09 g/mol. Its IUPAC name is [3-(trifluoromethyl)-1,2,4-triazol-1-yl]methanol.

Molecular Properties

Compound Name[3-(trifluoromethyl)-1,2,4-triazol-1-yl]methanol
PubChem CID23149140
Molecular FormulaC4H4F3N3O
Molecular Weight167.09 g/mol
Exact Mass167.03
IUPAC Name[3-(trifluoromethyl)-1,2,4-triazol-1-yl]methanol
SMILESOCn1cnc(C(F)(F)F)n1
InChIInChI=1S/C4H4F3N3O/c5-4(6,7)3-8-1-10(2-11)9-3/h1,11H,2H2
InChIKeyLRWQHNBXXMZKAQ-UHFFFAOYSA-N
XLogP0.25
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.09
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Difluoromethyl)-3-methyl-1h-1,2,4-triazole
CID 89925217
1-(Difluoromethyl)-5-methyl-1h-1,2,4-triazole
CID 138392529
5-Methyl-1-(trifluoromethyl)-1,2,4-triazole
CID 150163375
1-Methyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 17770305
[1-(2,2-difluoroethyl)-1H-1,2,4-triazol-5-yl]methanol
CID 18406934
3-(pentafluoroethyl)-1H-1,2,4-triazole 1-ylmethanol
CID 23149128
3-(Fluoromethyl)-1-(methoxymethyl)-1,2,4-triazole
CID 56988703
1-[3-(Trifluoromethyl)-1,2,4-triazol-1-yl]ethanol
CID 57028757
[3-(Fluoromethyl)-1,2,4-triazol-1-yl]methanol
CID 57050035
1-[3-(Fluoromethyl)-1,2,4-triazol-1-yl]ethanol
CID 57071623
2-[3-(Trifluoromethyl)-1H-1,2,4-triazol-1-yl]ethanol
CID 57147252
1-(Methoxymethyl)-3-(trifluoromethyl)-1,2,4-triazole
CID 57266696

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)-1,2,4-triazol-1-yl]methanol?
The IUPAC name of [3-(trifluoromethyl)-1,2,4-triazol-1-yl]methanol (CID 23149140) is [3-(trifluoromethyl)-1,2,4-triazol-1-yl]methanol.
What is the SMILES notation for [3-(trifluoromethyl)-1,2,4-triazol-1-yl]methanol?
The canonical SMILES for [3-(trifluoromethyl)-1,2,4-triazol-1-yl]methanol is OCn1cnc(C(F)(F)F)n1.
What is the InChIKey of [3-(trifluoromethyl)-1,2,4-triazol-1-yl]methanol?
The InChIKey is LRWQHNBXXMZKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3O/c5-4(6,7)3-8-1-10(2-11)9-3/h1,11H,2H2.
What are the key properties of [3-(trifluoromethyl)-1,2,4-triazol-1-yl]methanol?
[3-(trifluoromethyl)-1,2,4-triazol-1-yl]methanol has a molecular weight of 167.09 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)-1,2,4-triazol-1-yl]methanol is sourced from PubChem (CID 23149140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).