O-[[2-(triazol-1-yl)phenyl]methyl]hydroxylamine

C9H10N4O — CID 117281796

IUPACO-[[2-(triazol-1-yl)phenyl]methyl]hydroxylamine
SMILESNOCc1ccccc1-n1ccnn1
InChIInChI=1S/C9H10N4O/c10-14-7-8-3-1-2-4-9(8)13-6-5-11-12-13/h1-6H,7,10H2
InChIKeyZELWYYBTHDLCRA-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.66
Rot. Bonds3

About O-[[2-(triazol-1-yl)phenyl]methyl]hydroxylamine

O-[[2-(triazol-1-yl)phenyl]methyl]hydroxylamine (PubChem CID 117281796) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is O-[[2-(triazol-1-yl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[2-(triazol-1-yl)phenyl]methyl]hydroxylamine
PubChem CID117281796
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC NameO-[[2-(triazol-1-yl)phenyl]methyl]hydroxylamine
SMILESNOCc1ccccc1-n1ccnn1
InChIInChI=1S/C9H10N4O/c10-14-7-8-3-1-2-4-9(8)13-6-5-11-12-13/h1-6H,7,10H2
InChIKeyZELWYYBTHDLCRA-UHFFFAOYSA-N
XLogP0.66
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.66
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

1-[2-(chloromethyl)phenyl]triazole
CID 140640955
1-[[2-(triazol-1-yl)phenyl]methyl]cyclopropan-1-ol
CID 117306788
4-[[2-(triazol-1-yl)phenyl]methyl]piperidine
CID 117358240
1-[[2-(triazol-1-yl)phenyl]methyl]piperazine
CID 117360479
[2-ethyl-6-(triazol-1-yl)phenyl]methanamine
CID 84670792
copper;1-(2-methylphenyl)triazole
CID 141369525
3-(triazol-1-yl)pyridin-2-amine
CID 84651207
N-prop-2-ynyl-2-(triazol-1-yl)aniline
CID 63951872
(2S)-2-amino-N-[2-(triazol-1-yl)phenyl]butanamide
CID 79025471
2-amino-3-methoxy-N-[2-(triazol-1-yl)phenyl]propanamide
CID 81083065
(4-methyl-1,3-thiazol-2-yl)methyl 2-(triazol-1-yl)benzoate
CID 75503126
1-[2-(sulfamoylamino)phenyl]triazole
CID 112573317

Frequently Asked Questions

What is the IUPAC name of O-[[2-(triazol-1-yl)phenyl]methyl]hydroxylamine?
The IUPAC name of O-[[2-(triazol-1-yl)phenyl]methyl]hydroxylamine (CID 117281796) is O-[[2-(triazol-1-yl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[2-(triazol-1-yl)phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[2-(triazol-1-yl)phenyl]methyl]hydroxylamine is NOCc1ccccc1-n1ccnn1.
What is the InChIKey of O-[[2-(triazol-1-yl)phenyl]methyl]hydroxylamine?
The InChIKey is ZELWYYBTHDLCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c10-14-7-8-3-1-2-4-9(8)13-6-5-11-12-13/h1-6H,7,10H2.
What are the key properties of O-[[2-(triazol-1-yl)phenyl]methyl]hydroxylamine?
O-[[2-(triazol-1-yl)phenyl]methyl]hydroxylamine has a molecular weight of 190.21 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[2-(triazol-1-yl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117281796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).