[1-[5-fluoro-2-(methylaminomethyl)phenyl]triazol-4-yl]methanol

C11H13FN4O — CID 71190381

IUPAC[1-[5-fluoro-2-(methylaminomethyl)phenyl]triazol-4-yl]methanol
SMILESCNCc1ccc(F)cc1-n1cc(CO)nn1
InChIInChI=1S/C11H13FN4O/c1-13-5-8-2-3-9(12)4-11(8)16-6-10(7-17)14-15-16/h2-4,6,13,17H,5,7H2,1H3
InChIKeyUCNZWGYHPLVFGH-UHFFFAOYSA-N
MW236.25 g/mol
LogP0.62
Rot. Bonds4

About [1-[5-fluoro-2-(methylaminomethyl)phenyl]triazol-4-yl]methanol

[1-[5-fluoro-2-(methylaminomethyl)phenyl]triazol-4-yl]methanol (PubChem CID 71190381) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is [1-[5-fluoro-2-(methylaminomethyl)phenyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[5-fluoro-2-(methylaminomethyl)phenyl]triazol-4-yl]methanol
PubChem CID71190381
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC Name[1-[5-fluoro-2-(methylaminomethyl)phenyl]triazol-4-yl]methanol
SMILESCNCc1ccc(F)cc1-n1cc(CO)nn1
InChIInChI=1S/C11H13FN4O/c1-13-5-8-2-3-9(12)4-11(8)16-6-10(7-17)14-15-16/h2-4,6,13,17H,5,7H2,1H3
InChIKeyUCNZWGYHPLVFGH-UHFFFAOYSA-N
XLogP0.62
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[5-fluoro-2-(methylaminomethyl)phenyl]triazol-4-yl]methanol?
The IUPAC name of [1-[5-fluoro-2-(methylaminomethyl)phenyl]triazol-4-yl]methanol (CID 71190381) is [1-[5-fluoro-2-(methylaminomethyl)phenyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[5-fluoro-2-(methylaminomethyl)phenyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[5-fluoro-2-(methylaminomethyl)phenyl]triazol-4-yl]methanol is CNCc1ccc(F)cc1-n1cc(CO)nn1.
What is the InChIKey of [1-[5-fluoro-2-(methylaminomethyl)phenyl]triazol-4-yl]methanol?
The InChIKey is UCNZWGYHPLVFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c1-13-5-8-2-3-9(12)4-11(8)16-6-10(7-17)14-15-16/h2-4,6,13,17H,5,7H2,1H3.
What are the key properties of [1-[5-fluoro-2-(methylaminomethyl)phenyl]triazol-4-yl]methanol?
[1-[5-fluoro-2-(methylaminomethyl)phenyl]triazol-4-yl]methanol has a molecular weight of 236.25 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-fluoro-2-(methylaminomethyl)phenyl]triazol-4-yl]methanol is sourced from PubChem (CID 71190381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).