1-(5-fluoro-2-methoxyphenyl)-1,2,4-triazole

C9H8FN3O — CID 175755715

IUPAC1-(5-fluoro-2-methoxyphenyl)-1,2,4-triazole
SMILESCOc1ccc(F)cc1-n1cncn1
InChIInChI=1S/C9H8FN3O/c1-14-9-3-2-7(10)4-8(9)13-6-11-5-12-13/h2-6H,1H3
InChIKeyIGZMBSHWBYHPOW-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.41
Rot. Bonds2

About 1-(5-fluoro-2-methoxyphenyl)-1,2,4-triazole

1-(5-fluoro-2-methoxyphenyl)-1,2,4-triazole (PubChem CID 175755715) has the molecular formula C9H8FN3O and a molecular weight of 193.18 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-1,2,4-triazole
PubChem CID175755715
Molecular FormulaC9H8FN3O
Molecular Weight193.18 g/mol
Exact Mass193.07
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-1,2,4-triazole
SMILESCOc1ccc(F)cc1-n1cncn1
InChIInChI=1S/C9H8FN3O/c1-14-9-3-2-7(10)4-8(9)13-6-11-5-12-13/h2-6H,1H3
InChIKeyIGZMBSHWBYHPOW-UHFFFAOYSA-N
XLogP1.41
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-1,2,4-triazole?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-1,2,4-triazole (CID 175755715) is 1-(5-fluoro-2-methoxyphenyl)-1,2,4-triazole.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-1,2,4-triazole?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-1,2,4-triazole is COc1ccc(F)cc1-n1cncn1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-1,2,4-triazole?
The InChIKey is IGZMBSHWBYHPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O/c1-14-9-3-2-7(10)4-8(9)13-6-11-5-12-13/h2-6H,1H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-1,2,4-triazole?
1-(5-fluoro-2-methoxyphenyl)-1,2,4-triazole has a molecular weight of 193.18 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-1,2,4-triazole is sourced from PubChem (CID 175755715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).