1-fluoro-3-(propan-2-yloxymethyl)-1,2,4-triazole

C6H10FN3O — CID 177033181

IUPAC1-fluoro-3-(propan-2-yloxymethyl)-1,2,4-triazole
SMILESCC(C)OCc1ncn(F)n1
InChIInChI=1S/C6H10FN3O/c1-5(2)11-3-6-8-4-10(7)9-6/h4-5H,3H2,1-2H3
InChIKeyHLEVPSYKWNWILL-UHFFFAOYSA-N
MW159.16 g/mol
LogP0.94
Rot. Bonds3

About 1-fluoro-3-(propan-2-yloxymethyl)-1,2,4-triazole

1-fluoro-3-(propan-2-yloxymethyl)-1,2,4-triazole (PubChem CID 177033181) has the molecular formula C6H10FN3O and a molecular weight of 159.16 g/mol. Its IUPAC name is 1-fluoro-3-(propan-2-yloxymethyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-fluoro-3-(propan-2-yloxymethyl)-1,2,4-triazole
PubChem CID177033181
Molecular FormulaC6H10FN3O
Molecular Weight159.16 g/mol
Exact Mass159.08
IUPAC Name1-fluoro-3-(propan-2-yloxymethyl)-1,2,4-triazole
SMILESCC(C)OCc1ncn(F)n1
InChIInChI=1S/C6H10FN3O/c1-5(2)11-3-6-8-4-10(7)9-6/h4-5H,3H2,1-2H3
InChIKeyHLEVPSYKWNWILL-UHFFFAOYSA-N
XLogP0.94
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methyl-1H-1,2,4-triazol-5-yl)ethan-1-ol
CID 89881889
2-Fluoro-1-(1-methyl-1,2,4-triazol-3-yl)ethanol
CID 59330633
1-(2,2-Difluoroethyl)-5-(ethoxymethyl)-1,2,4-triazole
CID 178822853
1-(2,2-Difluoroethyl)-3-(propan-2-yloxymethyl)-1,2,4-triazole
CID 178822915
1-(2,2-Difluoroethyl)-3-fluoro-5-(propan-2-yloxymethyl)-1,2,4-triazole
CID 178822957
4-(2,2-Difluoroethyl)-3-(ethoxymethyl)-1,2,4-triazole
CID 178823291
4-(2,2-Difluoroethyl)-3-(propan-2-yloxymethyl)-1,2,4-triazole
CID 178823555
1-(2,2-Difluoroethyl)-5-(propan-2-yloxymethyl)-1,2,4-triazole
CID 178823940
4-Ethyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole
CID 103213661
4-Propyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole
CID 103213664
4-Methyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole
CID 103213667
1-(2,2-Difluoroethyl)-5-(methoxymethyl)-1,2,4-triazole
CID 178823738

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(propan-2-yloxymethyl)-1,2,4-triazole?
The IUPAC name of 1-fluoro-3-(propan-2-yloxymethyl)-1,2,4-triazole (CID 177033181) is 1-fluoro-3-(propan-2-yloxymethyl)-1,2,4-triazole.
What is the SMILES notation for 1-fluoro-3-(propan-2-yloxymethyl)-1,2,4-triazole?
The canonical SMILES for 1-fluoro-3-(propan-2-yloxymethyl)-1,2,4-triazole is CC(C)OCc1ncn(F)n1.
What is the InChIKey of 1-fluoro-3-(propan-2-yloxymethyl)-1,2,4-triazole?
The InChIKey is HLEVPSYKWNWILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3O/c1-5(2)11-3-6-8-4-10(7)9-6/h4-5H,3H2,1-2H3.
What are the key properties of 1-fluoro-3-(propan-2-yloxymethyl)-1,2,4-triazole?
1-fluoro-3-(propan-2-yloxymethyl)-1,2,4-triazole has a molecular weight of 159.16 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(propan-2-yloxymethyl)-1,2,4-triazole is sourced from PubChem (CID 177033181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).