3-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol

C12H14FN3O2 — CID 113374476

IUPAC3-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol
SMILESCOc1ccc(F)c(-n2cc(CCCO)nn2)c1
InChIInChI=1S/C12H14FN3O2/c1-18-10-4-5-11(13)12(7-10)16-8-9(14-15-16)3-2-6-17/h4-5,7-8,17H,2-3,6H2,1H3
InChIKeySNEYGVNZVWTPSX-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.34
Rot. Bonds5

About 3-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol

3-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol (PubChem CID 113374476) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is 3-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol
PubChem CID113374476
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name3-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol
SMILESCOc1ccc(F)c(-n2cc(CCCO)nn2)c1
InChIInChI=1S/C12H14FN3O2/c1-18-10-4-5-11(13)12(7-10)16-8-9(14-15-16)3-2-6-17/h4-5,7-8,17H,2-3,6H2,1H3
InChIKeySNEYGVNZVWTPSX-UHFFFAOYSA-N
XLogP1.34
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol
CID 113374463
1-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]ethanamine
CID 114419370
4-(2-bromoethyl)-1-(2-chloro-5-methoxyphenyl)triazole
CID 62401920
3-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]propan-1-ol
CID 113374472
3-[1-(3,4-dimethylphenyl)triazol-4-yl]propan-1-ol
CID 113374462
3-[1-(4-bromo-2-chlorophenyl)triazol-4-yl]propan-1-ol
CID 113374469
4-(3-chloropropyl)-1-(4-fluoro-3-methoxyphenyl)triazole
CID 114840800
3-[1-[3-(methoxymethyl)phenyl]triazol-4-yl]propan-1-ol
CID 113374449
2-[1-(2-chloro-5-methoxyphenyl)triazol-4-yl]acetic acid
CID 107461164
3-[1-(3-fluoro-4-methoxyphenyl)triazol-4-yl]propan-1-amine
CID 114159959
3-[1-(2-methoxyphenyl)triazol-4-yl]propan-1-amine
CID 84695827
2-[1-(2,4-dibromo-5-methoxyphenyl)triazol-4-yl]ethanol
CID 103416839

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol?
The IUPAC name of 3-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol (CID 113374476) is 3-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol is COc1ccc(F)c(-n2cc(CCCO)nn2)c1.
What is the InChIKey of 3-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol?
The InChIKey is SNEYGVNZVWTPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c1-18-10-4-5-11(13)12(7-10)16-8-9(14-15-16)3-2-6-17/h4-5,7-8,17H,2-3,6H2,1H3.
What are the key properties of 3-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol?
3-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol has a molecular weight of 251.26 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol is sourced from PubChem (CID 113374476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).