[1-[2-(aminomethyl)-5-fluorophenyl]triazol-4-yl]methanol

C10H11FN4O — CID 21069755

IUPAC[1-[2-(aminomethyl)-5-fluorophenyl]triazol-4-yl]methanol
SMILESNCc1ccc(F)cc1-n1cc(CO)nn1
InChIInChI=1S/C10H11FN4O/c11-8-2-1-7(4-12)10(3-8)15-5-9(6-16)13-14-15/h1-3,5,16H,4,6,12H2
InChIKeyLRYIOKYLRCCJJW-UHFFFAOYSA-N
MW222.22 g/mol
LogP0.36
Rot. Bonds3

About [1-[2-(aminomethyl)-5-fluorophenyl]triazol-4-yl]methanol

[1-[2-(aminomethyl)-5-fluorophenyl]triazol-4-yl]methanol (PubChem CID 21069755) has the molecular formula C10H11FN4O and a molecular weight of 222.22 g/mol. Its IUPAC name is [1-[2-(aminomethyl)-5-fluorophenyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-(aminomethyl)-5-fluorophenyl]triazol-4-yl]methanol
PubChem CID21069755
Molecular FormulaC10H11FN4O
Molecular Weight222.22 g/mol
Exact Mass222.09
IUPAC Name[1-[2-(aminomethyl)-5-fluorophenyl]triazol-4-yl]methanol
SMILESNCc1ccc(F)cc1-n1cc(CO)nn1
InChIInChI=1S/C10H11FN4O/c11-8-2-1-7(4-12)10(3-8)15-5-9(6-16)13-14-15/h1-3,5,16H,4,6,12H2
InChIKeyLRYIOKYLRCCJJW-UHFFFAOYSA-N
XLogP0.36
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(aminomethyl)-5-fluorophenyl]triazol-4-yl]methanol?
The IUPAC name of [1-[2-(aminomethyl)-5-fluorophenyl]triazol-4-yl]methanol (CID 21069755) is [1-[2-(aminomethyl)-5-fluorophenyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[2-(aminomethyl)-5-fluorophenyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[2-(aminomethyl)-5-fluorophenyl]triazol-4-yl]methanol is NCc1ccc(F)cc1-n1cc(CO)nn1.
What is the InChIKey of [1-[2-(aminomethyl)-5-fluorophenyl]triazol-4-yl]methanol?
The InChIKey is LRYIOKYLRCCJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O/c11-8-2-1-7(4-12)10(3-8)15-5-9(6-16)13-14-15/h1-3,5,16H,4,6,12H2.
What are the key properties of [1-[2-(aminomethyl)-5-fluorophenyl]triazol-4-yl]methanol?
[1-[2-(aminomethyl)-5-fluorophenyl]triazol-4-yl]methanol has a molecular weight of 222.22 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(aminomethyl)-5-fluorophenyl]triazol-4-yl]methanol is sourced from PubChem (CID 21069755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).