1-(4-fluorophenyl)-5-[1-(methoxymethyl)cyclobutyl]-3-methyl-1,2,4-triazole

C15H18FN3O — CID 50957870

IUPAC1-(4-fluorophenyl)-5-[1-(methoxymethyl)cyclobutyl]-3-methyl-1,2,4-triazole
SMILESCOCC1(c2nc(C)nn2-c2ccc(F)cc2)CCC1
InChIInChI=1S/C15H18FN3O/c1-11-17-14(15(10-20-2)8-3-9-15)19(18-11)13-6-4-12(16)5-7-13/h4-7H,3,8-10H2,1-2H3
InChIKeyYLQSKJLUULBYOH-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.78
Rot. Bonds4

About 1-(4-fluorophenyl)-5-[1-(methoxymethyl)cyclobutyl]-3-methyl-1,2,4-triazole

1-(4-fluorophenyl)-5-[1-(methoxymethyl)cyclobutyl]-3-methyl-1,2,4-triazole (PubChem CID 50957870) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[1-(methoxymethyl)cyclobutyl]-3-methyl-1,2,4-triazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[1-(methoxymethyl)cyclobutyl]-3-methyl-1,2,4-triazole
PubChem CID50957870
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name1-(4-fluorophenyl)-5-[1-(methoxymethyl)cyclobutyl]-3-methyl-1,2,4-triazole
SMILESCOCC1(c2nc(C)nn2-c2ccc(F)cc2)CCC1
InChIInChI=1S/C15H18FN3O/c1-11-17-14(15(10-20-2)8-3-9-15)19(18-11)13-6-4-12(16)5-7-13/h4-7H,3,8-10H2,1-2H3
InChIKeyYLQSKJLUULBYOH-UHFFFAOYSA-N
XLogP2.78
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[1-(methoxymethyl)cyclobutyl]-3-methyl-1,2,4-triazole?
The IUPAC name of 1-(4-fluorophenyl)-5-[1-(methoxymethyl)cyclobutyl]-3-methyl-1,2,4-triazole (CID 50957870) is 1-(4-fluorophenyl)-5-[1-(methoxymethyl)cyclobutyl]-3-methyl-1,2,4-triazole.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[1-(methoxymethyl)cyclobutyl]-3-methyl-1,2,4-triazole?
The canonical SMILES for 1-(4-fluorophenyl)-5-[1-(methoxymethyl)cyclobutyl]-3-methyl-1,2,4-triazole is COCC1(c2nc(C)nn2-c2ccc(F)cc2)CCC1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[1-(methoxymethyl)cyclobutyl]-3-methyl-1,2,4-triazole?
The InChIKey is YLQSKJLUULBYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-11-17-14(15(10-20-2)8-3-9-15)19(18-11)13-6-4-12(16)5-7-13/h4-7H,3,8-10H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-5-[1-(methoxymethyl)cyclobutyl]-3-methyl-1,2,4-triazole?
1-(4-fluorophenyl)-5-[1-(methoxymethyl)cyclobutyl]-3-methyl-1,2,4-triazole has a molecular weight of 275.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[1-(methoxymethyl)cyclobutyl]-3-methyl-1,2,4-triazole is sourced from PubChem (CID 50957870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).