3-(fluoromethyl)-1-(methoxymethyl)-1,2,4-triazole

C5H8FN3O — CID 56988703

IUPAC3-(fluoromethyl)-1-(methoxymethyl)-1,2,4-triazole
SMILESCOCn1cnc(CF)n1
InChIInChI=1S/C5H8FN3O/c1-10-4-9-3-7-5(2-6)8-9/h3H,2,4H2,1H3
InChIKeyYUFQPBFUVQCCHC-UHFFFAOYSA-N
MW145.14 g/mol
LogP0.35
Rot. Bonds3

About 3-(fluoromethyl)-1-(methoxymethyl)-1,2,4-triazole

3-(fluoromethyl)-1-(methoxymethyl)-1,2,4-triazole (PubChem CID 56988703) has the molecular formula C5H8FN3O and a molecular weight of 145.14 g/mol. Its IUPAC name is 3-(fluoromethyl)-1-(methoxymethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-(fluoromethyl)-1-(methoxymethyl)-1,2,4-triazole
PubChem CID56988703
Molecular FormulaC5H8FN3O
Molecular Weight145.14 g/mol
Exact Mass145.07
IUPAC Name3-(fluoromethyl)-1-(methoxymethyl)-1,2,4-triazole
SMILESCOCn1cnc(CF)n1
InChIInChI=1S/C5H8FN3O/c1-10-4-9-3-7-5(2-6)8-9/h3H,2,4H2,1H3
InChIKeyYUFQPBFUVQCCHC-UHFFFAOYSA-N
XLogP0.35
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.14
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(fluoromethyl)-1-(methoxymethyl)-1,2,4-triazole 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-(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-Chloro-1-(methoxymethyl)-3-methyl-1H-1,2,4-triazole
CID 91640912
3-bromo-1-(methoxymethyl)-5-methyl-1H-1,2,4-triazole
CID 130118663
1,3,4-Trimethyl-1,2,4-triazol-4-ium
CID 11796926
5-Methyl-1-(trifluoromethyl)-1,2,4-triazole
CID 150163375
1-Methyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 17770305
1-(Hydroxymethyl)-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 23149140
[3-(Fluoromethyl)-1,2,4-triazol-1-yl]methanol
CID 57050035
1-[3-(Fluoromethyl)-1,2,4-triazol-1-yl]ethanol
CID 57071623
1-(Methoxymethyl)-3-(trifluoromethyl)-1,2,4-triazole
CID 57266696

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1-(methoxymethyl)-1,2,4-triazole?
The IUPAC name of 3-(fluoromethyl)-1-(methoxymethyl)-1,2,4-triazole (CID 56988703) is 3-(fluoromethyl)-1-(methoxymethyl)-1,2,4-triazole.
What is the SMILES notation for 3-(fluoromethyl)-1-(methoxymethyl)-1,2,4-triazole?
The canonical SMILES for 3-(fluoromethyl)-1-(methoxymethyl)-1,2,4-triazole is COCn1cnc(CF)n1.
What is the InChIKey of 3-(fluoromethyl)-1-(methoxymethyl)-1,2,4-triazole?
The InChIKey is YUFQPBFUVQCCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3O/c1-10-4-9-3-7-5(2-6)8-9/h3H,2,4H2,1H3.
What are the key properties of 3-(fluoromethyl)-1-(methoxymethyl)-1,2,4-triazole?
3-(fluoromethyl)-1-(methoxymethyl)-1,2,4-triazole has a molecular weight of 145.14 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1-(methoxymethyl)-1,2,4-triazole is sourced from PubChem (CID 56988703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).