N-(5-phenyl-1H-1,2,4-triazol-3-yl)hydroxylamine

C8H8N4O — CID 50915409

IUPACN-(5-phenyl-1H-1,2,4-triazol-3-yl)hydroxylamine
SMILESONc1n[nH]c(-c2ccccc2)n1
InChIInChI=1S/C8H8N4O/c13-12-8-9-7(10-11-8)6-4-2-1-3-5-6/h1-5,13H,(H2,9,10,11,12)
InChIKeyWUKJCIIGUONLJC-UHFFFAOYSA-N
MW176.18 g/mol
LogP1.27
Rot. Bonds2

About N-(5-phenyl-1H-1,2,4-triazol-3-yl)hydroxylamine

N-(5-phenyl-1H-1,2,4-triazol-3-yl)hydroxylamine (PubChem CID 50915409) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is N-(5-phenyl-1H-1,2,4-triazol-3-yl)hydroxylamine.

Molecular Properties

Compound NameN-(5-phenyl-1H-1,2,4-triazol-3-yl)hydroxylamine
PubChem CID50915409
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC NameN-(5-phenyl-1H-1,2,4-triazol-3-yl)hydroxylamine
SMILESONc1n[nH]c(-c2ccccc2)n1
InChIInChI=1S/C8H8N4O/c13-12-8-9-7(10-11-8)6-4-2-1-3-5-6/h1-5,13H,(H2,9,10,11,12)
InChIKeyWUKJCIIGUONLJC-UHFFFAOYSA-N
XLogP1.27
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethylpropyl)-5-phenyl-1H-1,2,4-triazol-3-amine
CID 20786175
1-ethyl-3-(5-phenyl-1H-1,2,4-triazol-3-yl)urea
CID 4885272
N-butyl-5-phenyl-1H-1,2,4-triazol-3-amine
CID 4266546
5-phenyl-1H-1,2,4-triazol-3-amine
CID 139075773
2-(4-bromophenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide
CID 17414942
2,2-dimethyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 56762489
3-chloro-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide
CID 17410284
3,5-bis(4-phenylphenyl)-1H-1,2,4-triazole
CID 150089010
5-phenyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)disulfanyl]-1H-1,2,4-triazole
CID 2748790
N-[5-[4-(3-acetamido-1H-1,2,4-triazol-5-yl)phenyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 44615693
5-phenyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)disulfanyl]-1H-1,2,4-triazole;dihydrate
CID 139081051
N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxyacetamide
CID 9246778

Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1H-1,2,4-triazol-3-yl)hydroxylamine?
The IUPAC name of N-(5-phenyl-1H-1,2,4-triazol-3-yl)hydroxylamine (CID 50915409) is N-(5-phenyl-1H-1,2,4-triazol-3-yl)hydroxylamine.
What is the SMILES notation for N-(5-phenyl-1H-1,2,4-triazol-3-yl)hydroxylamine?
The canonical SMILES for N-(5-phenyl-1H-1,2,4-triazol-3-yl)hydroxylamine is ONc1n[nH]c(-c2ccccc2)n1.
What is the InChIKey of N-(5-phenyl-1H-1,2,4-triazol-3-yl)hydroxylamine?
The InChIKey is WUKJCIIGUONLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c13-12-8-9-7(10-11-8)6-4-2-1-3-5-6/h1-5,13H,(H2,9,10,11,12).
What are the key properties of N-(5-phenyl-1H-1,2,4-triazol-3-yl)hydroxylamine?
N-(5-phenyl-1H-1,2,4-triazol-3-yl)hydroxylamine has a molecular weight of 176.18 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1H-1,2,4-triazol-3-yl)hydroxylamine is sourced from PubChem (CID 50915409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).