1-[1-(3-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol

C12H14FN3O2 — CID 114262787

IUPAC1-[1-(3-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol
SMILESCCC(O)c1cn(-c2cc(F)cc(OC)c2)nn1
InChIInChI=1S/C12H14FN3O2/c1-3-12(17)11-7-16(15-14-11)9-4-8(13)5-10(6-9)18-2/h4-7,12,17H,3H2,1-2H3
InChIKeyNXMBKKNGNBKKFU-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.86
Rot. Bonds4

About 1-[1-(3-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol

1-[1-(3-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol (PubChem CID 114262787) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is 1-[1-(3-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-(3-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol
PubChem CID114262787
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name1-[1-(3-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol
SMILESCCC(O)c1cn(-c2cc(F)cc(OC)c2)nn1
InChIInChI=1S/C12H14FN3O2/c1-3-12(17)11-7-16(15-14-11)9-4-8(13)5-10(6-9)18-2/h4-7,12,17H,3H2,1-2H3
InChIKeyNXMBKKNGNBKKFU-UHFFFAOYSA-N
XLogP1.86
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol
CID 113482604
1-[1-(4-chloro-3-fluorophenyl)triazol-4-yl]propan-1-ol
CID 113482589
1-[1-(2,4,5-trifluorophenyl)triazol-4-yl]propan-1-ol
CID 113482617
1-[1-(3-ethylphenyl)triazol-4-yl]propan-1-ol
CID 113482605
1-(3-chloro-5-fluorophenyl)-4-(diethoxymethyl)triazole
CID 107370972
1-[1-(2,6-dimethylphenyl)triazol-4-yl]propan-1-ol
CID 136572305
1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]propan-1-ol
CID 114858232
4-(1-bromopropyl)-1-(5-methoxy-2-methylphenyl)triazole
CID 114252887
1-[1-(2-nitrophenyl)triazol-4-yl]propan-1-ol
CID 113482580
1-[1-(4-methoxyphenyl)triazol-4-yl]-N-methylethanamine
CID 117167721
1-(3,5-dichlorophenyl)-4-(diethoxymethyl)triazole
CID 66213811
1-(3,5-dimethoxyphenyl)propan-1-ol
CID 42957590

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol?
The IUPAC name of 1-[1-(3-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol (CID 114262787) is 1-[1-(3-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[1-(3-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[1-(3-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol is CCC(O)c1cn(-c2cc(F)cc(OC)c2)nn1.
What is the InChIKey of 1-[1-(3-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol?
The InChIKey is NXMBKKNGNBKKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c1-3-12(17)11-7-16(15-14-11)9-4-8(13)5-10(6-9)18-2/h4-7,12,17H,3H2,1-2H3.
What are the key properties of 1-[1-(3-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol?
1-[1-(3-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol has a molecular weight of 251.26 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol is sourced from PubChem (CID 114262787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).