[4-cyclopropyl-5-(2-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]methanol

C13H14FN3O2 — CID 102885831

IUPAC[4-cyclopropyl-5-(2-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]methanol
SMILESCOc1ccc(-c2nnc(CO)n2C2CC2)c(F)c1
InChIInChI=1S/C13H14FN3O2/c1-19-9-4-5-10(11(14)6-9)13-16-15-12(7-18)17(13)8-2-3-8/h4-6,8,18H,2-3,7H2,1H3
InChIKeyVFOVFNPHVPIEOC-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.92
Rot. Bonds4

About [4-cyclopropyl-5-(2-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]methanol

[4-cyclopropyl-5-(2-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 102885831) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is [4-cyclopropyl-5-(2-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-cyclopropyl-5-(2-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]methanol
PubChem CID102885831
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name[4-cyclopropyl-5-(2-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]methanol
SMILESCOc1ccc(-c2nnc(CO)n2C2CC2)c(F)c1
InChIInChI=1S/C13H14FN3O2/c1-19-9-4-5-10(11(14)6-9)13-16-15-12(7-18)17(13)8-2-3-8/h4-6,8,18H,2-3,7H2,1H3
InChIKeyVFOVFNPHVPIEOC-UHFFFAOYSA-N
XLogP1.92
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-5-(2-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-cyclopropyl-5-(2-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]methanol (CID 102885831) is [4-cyclopropyl-5-(2-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-cyclopropyl-5-(2-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-cyclopropyl-5-(2-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]methanol is COc1ccc(-c2nnc(CO)n2C2CC2)c(F)c1.
What is the InChIKey of [4-cyclopropyl-5-(2-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is VFOVFNPHVPIEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-19-9-4-5-10(11(14)6-9)13-16-15-12(7-18)17(13)8-2-3-8/h4-6,8,18H,2-3,7H2,1H3.
What are the key properties of [4-cyclopropyl-5-(2-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]methanol?
[4-cyclopropyl-5-(2-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 263.27 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-5-(2-fluoro-4-methoxyphenyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 102885831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).