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

C4H6FN3O — CID 57050035

IUPAC[3-(fluoromethyl)-1,2,4-triazol-1-yl]methanol
SMILESOCn1cnc(CF)n1
InChIInChI=1S/C4H6FN3O/c5-1-4-6-2-8(3-9)7-4/h2,9H,1,3H2
InChIKeyQMVVNFBQJPVGMD-UHFFFAOYSA-N
MW131.11 g/mol
LogP-0.30
Rot. Bonds2

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

[3-(fluoromethyl)-1,2,4-triazol-1-yl]methanol (PubChem CID 57050035) has the molecular formula C4H6FN3O and a molecular weight of 131.11 g/mol. Its IUPAC name is [3-(fluoromethyl)-1,2,4-triazol-1-yl]methanol.

Molecular Properties

Compound Name[3-(fluoromethyl)-1,2,4-triazol-1-yl]methanol
PubChem CID57050035
Molecular FormulaC4H6FN3O
Molecular Weight131.11 g/mol
Exact Mass131.05
IUPAC Name[3-(fluoromethyl)-1,2,4-triazol-1-yl]methanol
SMILESOCn1cnc(CF)n1
InChIInChI=1S/C4H6FN3O/c5-1-4-6-2-8(3-9)7-4/h2,9H,1,3H2
InChIKeyQMVVNFBQJPVGMD-UHFFFAOYSA-N
XLogP-0.30
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.11
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-Methyl-1H-1,2,4-triazol-3-yl)methanol
CID 10351670
(1-methyl-1H-1,2,4-triazol-5-yl)methanol hydrochloride
CID 126802643
1-(Difluoromethyl)-3-methyl-1h-1,2,4-triazole
CID 89925217
1-(Difluoromethyl)-5-methyl-1h-1,2,4-triazole
CID 138392529
1,3-Dimethyl-1,2,4-triazole
CID 307977
5-Methyl-1-(trifluoromethyl)-1,2,4-triazole
CID 150163375
(1-methyl-1H-1,2,4-triazol-5-yl)methanol
CID 11073377
[2-(2-Fluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 18406845
[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
1-(Hydroxymethyl)-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 23149140
3-(Fluoromethyl)-1-(methoxymethyl)-1,2,4-triazole
CID 56988703

Frequently Asked Questions

What is the IUPAC name of [3-(fluoromethyl)-1,2,4-triazol-1-yl]methanol?
The IUPAC name of [3-(fluoromethyl)-1,2,4-triazol-1-yl]methanol (CID 57050035) is [3-(fluoromethyl)-1,2,4-triazol-1-yl]methanol.
What is the SMILES notation for [3-(fluoromethyl)-1,2,4-triazol-1-yl]methanol?
The canonical SMILES for [3-(fluoromethyl)-1,2,4-triazol-1-yl]methanol is OCn1cnc(CF)n1.
What is the InChIKey of [3-(fluoromethyl)-1,2,4-triazol-1-yl]methanol?
The InChIKey is QMVVNFBQJPVGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FN3O/c5-1-4-6-2-8(3-9)7-4/h2,9H,1,3H2.
What are the key properties of [3-(fluoromethyl)-1,2,4-triazol-1-yl]methanol?
[3-(fluoromethyl)-1,2,4-triazol-1-yl]methanol has a molecular weight of 131.11 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(fluoromethyl)-1,2,4-triazol-1-yl]methanol is sourced from PubChem (CID 57050035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).