1H-indazol-4-yloxyimino-methyl-oxidoazanium

C8H8N4O2 — CID 58667118

IUPAC1H-indazol-4-yloxyimino-methyl-oxidoazanium
SMILESC[N+]([O-])=NOc1cccc2[nH]ncc12
InChIInChI=1S/C8H8N4O2/c1-12(13)11-14-8-4-2-3-7-6(8)5-9-10-7/h2-5H,1H3,(H,9,10)
InChIKeyOYHOEJDOUMUXAS-UHFFFAOYSA-N
MW192.18 g/mol
LogP1.45
Rot. Bonds2

About 1H-indazol-4-yloxyimino-methyl-oxidoazanium

1H-indazol-4-yloxyimino-methyl-oxidoazanium (PubChem CID 58667118) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 1H-indazol-4-yloxyimino-methyl-oxidoazanium.

Molecular Properties

Compound Name1H-indazol-4-yloxyimino-methyl-oxidoazanium
PubChem CID58667118
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name1H-indazol-4-yloxyimino-methyl-oxidoazanium
SMILESC[N+]([O-])=NOc1cccc2[nH]ncc12
InChIInChI=1S/C8H8N4O2/c1-12(13)11-14-8-4-2-3-7-6(8)5-9-10-7/h2-5H,1H3,(H,9,10)
InChIKeyOYHOEJDOUMUXAS-UHFFFAOYSA-N
XLogP1.45
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-indazol-4-yloxyimino-methyl-oxidoazanium?
The IUPAC name of 1H-indazol-4-yloxyimino-methyl-oxidoazanium (CID 58667118) is 1H-indazol-4-yloxyimino-methyl-oxidoazanium.
What is the SMILES notation for 1H-indazol-4-yloxyimino-methyl-oxidoazanium?
The canonical SMILES for 1H-indazol-4-yloxyimino-methyl-oxidoazanium is C[N+]([O-])=NOc1cccc2[nH]ncc12.
What is the InChIKey of 1H-indazol-4-yloxyimino-methyl-oxidoazanium?
The InChIKey is OYHOEJDOUMUXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-12(13)11-14-8-4-2-3-7-6(8)5-9-10-7/h2-5H,1H3,(H,9,10).
What are the key properties of 1H-indazol-4-yloxyimino-methyl-oxidoazanium?
1H-indazol-4-yloxyimino-methyl-oxidoazanium has a molecular weight of 192.18 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-4-yloxyimino-methyl-oxidoazanium is sourced from PubChem (CID 58667118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).