O-[[1-(3-fluorophenyl)triazol-4-yl]methyl]hydroxylamine

C9H9FN4O — CID 117167593

IUPACO-[[1-(3-fluorophenyl)triazol-4-yl]methyl]hydroxylamine
SMILESNOCc1cn(-c2cccc(F)c2)nn1
InChIInChI=1S/C9H9FN4O/c10-7-2-1-3-9(4-7)14-5-8(6-15-11)12-13-14/h1-5H,6,11H2
InChIKeyPSNHUFCWCIYSSY-UHFFFAOYSA-N
MW208.20 g/mol
LogP0.80
Rot. Bonds3

About O-[[1-(3-fluorophenyl)triazol-4-yl]methyl]hydroxylamine

O-[[1-(3-fluorophenyl)triazol-4-yl]methyl]hydroxylamine (PubChem CID 117167593) has the molecular formula C9H9FN4O and a molecular weight of 208.20 g/mol. Its IUPAC name is O-[[1-(3-fluorophenyl)triazol-4-yl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[1-(3-fluorophenyl)triazol-4-yl]methyl]hydroxylamine
PubChem CID117167593
Molecular FormulaC9H9FN4O
Molecular Weight208.20 g/mol
Exact Mass208.08
IUPAC NameO-[[1-(3-fluorophenyl)triazol-4-yl]methyl]hydroxylamine
SMILESNOCc1cn(-c2cccc(F)c2)nn1
InChIInChI=1S/C9H9FN4O/c10-7-2-1-3-9(4-7)14-5-8(6-15-11)12-13-14/h1-5H,6,11H2
InChIKeyPSNHUFCWCIYSSY-UHFFFAOYSA-N
XLogP0.80
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-1-(3-fluorophenyl)triazole
CID 144663333
N-[[1-(3-fluorophenyl)triazol-4-yl]methyl]propan-2-amine
CID 66205643
1-[[1-(3-fluorophenyl)triazol-4-yl]methyl]piperazine
CID 117167600
7-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]chromen-2-one
CID 122192671
cyclohexane;1,1-dimethylcyclobutane;4-ethyl-1-(3-fluorophenyl)triazole;molecular hydrogen
CID 144663340
7-[[1-(3-fluorophenyl)triazol-4-yl]methyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 166604514
1-[1-(3-fluorophenyl)triazol-4-yl]cyclobutan-1-ol
CID 146108350
[1-[3-(difluoromethyl)phenyl]triazol-4-yl]methanamine
CID 130302363
2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine
CID 130309643
1-(3-fluorophenyl)-4-(3-methoxyphenyl)triazole
CID 155276348
2,2,2-trifluoro-1-[1-(3-fluorophenyl)triazol-4-yl]ethanone
CID 62581957
[4-[1-(3-fluorophenyl)triazol-4-yl]phenyl] sulfamate
CID 156521655

Frequently Asked Questions

What is the IUPAC name of O-[[1-(3-fluorophenyl)triazol-4-yl]methyl]hydroxylamine?
The IUPAC name of O-[[1-(3-fluorophenyl)triazol-4-yl]methyl]hydroxylamine (CID 117167593) is O-[[1-(3-fluorophenyl)triazol-4-yl]methyl]hydroxylamine.
What is the SMILES notation for O-[[1-(3-fluorophenyl)triazol-4-yl]methyl]hydroxylamine?
The canonical SMILES for O-[[1-(3-fluorophenyl)triazol-4-yl]methyl]hydroxylamine is NOCc1cn(-c2cccc(F)c2)nn1.
What is the InChIKey of O-[[1-(3-fluorophenyl)triazol-4-yl]methyl]hydroxylamine?
The InChIKey is PSNHUFCWCIYSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O/c10-7-2-1-3-9(4-7)14-5-8(6-15-11)12-13-14/h1-5H,6,11H2.
What are the key properties of O-[[1-(3-fluorophenyl)triazol-4-yl]methyl]hydroxylamine?
O-[[1-(3-fluorophenyl)triazol-4-yl]methyl]hydroxylamine has a molecular weight of 208.20 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[1-(3-fluorophenyl)triazol-4-yl]methyl]hydroxylamine is sourced from PubChem (CID 117167593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).