1-(3-fluorophenyl)-4-(3-methoxyphenyl)triazole

C15H12FN3O — CID 155276348

IUPAC1-(3-fluorophenyl)-4-(3-methoxyphenyl)triazole
SMILESCOc1cccc(-c2cn(-c3cccc(F)c3)nn2)c1
InChIInChI=1S/C15H12FN3O/c1-20-14-7-2-4-11(8-14)15-10-19(18-17-15)13-6-3-5-12(16)9-13/h2-10H,1H3
InChIKeySDJJURUCAMBCEP-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.08
Rot. Bonds3

About 1-(3-fluorophenyl)-4-(3-methoxyphenyl)triazole

1-(3-fluorophenyl)-4-(3-methoxyphenyl)triazole (PubChem CID 155276348) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4-(3-methoxyphenyl)triazole.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4-(3-methoxyphenyl)triazole
PubChem CID155276348
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name1-(3-fluorophenyl)-4-(3-methoxyphenyl)triazole
SMILESCOc1cccc(-c2cn(-c3cccc(F)c3)nn2)c1
InChIInChI=1S/C15H12FN3O/c1-20-14-7-2-4-11(8-14)15-10-19(18-17-15)13-6-3-5-12(16)9-13/h2-10H,1H3
InChIKeySDJJURUCAMBCEP-UHFFFAOYSA-N
XLogP3.08
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxyphenyl)-1-(3-methylphenyl)triazole
CID 20977584
4-[1-(3-methoxyphenyl)triazol-4-yl]phenol
CID 156521583
5-[1-[3,5-difluoro-4-(3-methoxyphenyl)phenyl]triazol-4-yl]pyrimidin-2-amine
CID 163366439
[4-[1-(3-fluorophenyl)triazol-4-yl]phenyl] sulfamate
CID 156521655
1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-4-phenyltriazole
CID 175596970
4-ethyl-1-(3-fluorophenyl)triazole
CID 144663333
3-[4-(4-fluorophenyl)triazol-1-yl]phenol
CID 122501207
2-[1-(3-methoxyphenyl)triazol-4-yl]propan-2-amine
CID 63997508
[3-[4-(3-hydroxyphenyl)triazol-1-yl]phenoxy]-oxo-phenylphosphanium
CID 71113179
2,2,2-trifluoro-1-[1-(3-methoxyphenyl)triazol-4-yl]ethanone
CID 62580870
2,6-bis(3-fluorophenyl)-4-methoxypyridine
CID 46313611
1-(3-methylphenyl)-4-(4-methylphenyl)triazole
CID 153378101

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4-(3-methoxyphenyl)triazole?
The IUPAC name of 1-(3-fluorophenyl)-4-(3-methoxyphenyl)triazole (CID 155276348) is 1-(3-fluorophenyl)-4-(3-methoxyphenyl)triazole.
What is the SMILES notation for 1-(3-fluorophenyl)-4-(3-methoxyphenyl)triazole?
The canonical SMILES for 1-(3-fluorophenyl)-4-(3-methoxyphenyl)triazole is COc1cccc(-c2cn(-c3cccc(F)c3)nn2)c1.
What is the InChIKey of 1-(3-fluorophenyl)-4-(3-methoxyphenyl)triazole?
The InChIKey is SDJJURUCAMBCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-20-14-7-2-4-11(8-14)15-10-19(18-17-15)13-6-3-5-12(16)9-13/h2-10H,1H3.
What are the key properties of 1-(3-fluorophenyl)-4-(3-methoxyphenyl)triazole?
1-(3-fluorophenyl)-4-(3-methoxyphenyl)triazole has a molecular weight of 269.28 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-4-(3-methoxyphenyl)triazole is sourced from PubChem (CID 155276348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).