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

C5H6F3N3O — CID 57266696

IUPAC1-(methoxymethyl)-3-(trifluoromethyl)-1,2,4-triazole
SMILESCOCn1cnc(C(F)(F)F)n1
InChIInChI=1S/C5H6F3N3O/c1-12-3-11-2-9-4(10-11)5(6,7)8/h2H,3H2,1H3
InChIKeyLPISUZOKEOHRLP-UHFFFAOYSA-N
MW181.12 g/mol
LogP0.90
Rot. Bonds2

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

1-(methoxymethyl)-3-(trifluoromethyl)-1,2,4-triazole (PubChem CID 57266696) has the molecular formula C5H6F3N3O and a molecular weight of 181.12 g/mol. Its IUPAC name is 1-(methoxymethyl)-3-(trifluoromethyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(methoxymethyl)-3-(trifluoromethyl)-1,2,4-triazole
PubChem CID57266696
Molecular FormulaC5H6F3N3O
Molecular Weight181.12 g/mol
Exact Mass181.05
IUPAC Name1-(methoxymethyl)-3-(trifluoromethyl)-1,2,4-triazole
SMILESCOCn1cnc(C(F)(F)F)n1
InChIInChI=1S/C5H6F3N3O/c1-12-3-11-2-9-4(10-11)5(6,7)8/h2H,3H2,1H3
InChIKeyLPISUZOKEOHRLP-UHFFFAOYSA-N
XLogP0.90
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.12
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Heptafluoropropyl)-3-methoxy-1-methyl-1H-1,2,4-triazole
CID 11254517
4-Methyl-3-(trifluoromethyl)-4H-1,2,4-triazole
CID 23067454
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
3-(pentafluoroethyl)-1H-1,2,4-triazole 1-ylmethanol
CID 23149128
1-(chloromethyl)-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 23149137
1-(Hydroxymethyl)-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 23149140
1-Methyl-3-(1,1,2,2,2-pentafluoroethyl)-1,2,4-triazole
CID 23149170
3-(Fluoromethyl)-1-(methoxymethyl)-1,2,4-triazole
CID 56988703
1-[3-(Trifluoromethyl)-1,2,4-triazol-1-yl]ethanol
CID 57028757

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-3-(trifluoromethyl)-1,2,4-triazole?
The IUPAC name of 1-(methoxymethyl)-3-(trifluoromethyl)-1,2,4-triazole (CID 57266696) is 1-(methoxymethyl)-3-(trifluoromethyl)-1,2,4-triazole.
What is the SMILES notation for 1-(methoxymethyl)-3-(trifluoromethyl)-1,2,4-triazole?
The canonical SMILES for 1-(methoxymethyl)-3-(trifluoromethyl)-1,2,4-triazole is COCn1cnc(C(F)(F)F)n1.
What is the InChIKey of 1-(methoxymethyl)-3-(trifluoromethyl)-1,2,4-triazole?
The InChIKey is LPISUZOKEOHRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3O/c1-12-3-11-2-9-4(10-11)5(6,7)8/h2H,3H2,1H3.
What are the key properties of 1-(methoxymethyl)-3-(trifluoromethyl)-1,2,4-triazole?
1-(methoxymethyl)-3-(trifluoromethyl)-1,2,4-triazole has a molecular weight of 181.12 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-3-(trifluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 57266696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).