[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

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

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Related Compounds

[5-(2-bromo-4-chlorophenyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanol
CID 107995809
3-(bromomethyl)-4-ethyl-5-(2-fluoro-4-methoxyphenyl)-1,2,4-triazole
CID 102885880
[5-(3-bromo-2-methylphenyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanol
CID 113301581
3-(chloromethyl)-4-cyclopropyl-5-(2,4-difluoro-5-methylphenyl)-1,2,4-triazole
CID 113396615
3-(chloromethyl)-5-(2-fluoro-4-methoxyphenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 102885859
[5-(2-fluoro-4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 102885893
[4-cyclopropyl-5-[(2-fluoro-4-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
CID 102876969
2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-4-methoxyaniline
CID 113305107
[4-cyclopropyl-5-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]methanol
CID 115396248
[5-(3-bromo-4-methylphenyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanol
CID 113301594
3-(2-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole
CID 102885848
[5-(5-chloro-2-fluorophenyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine
CID 112593158

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).