(Z)-hydroxyimino-oxido-(propan-2-ylamino)azanium

C3H9N3O2 — CID 135514547

IUPAC(Z)-hydroxyimino-oxido-(propan-2-ylamino)azanium
SMILESCC(C)N/[N+]([O-])=N/O
InChIInChI=1S/C3H9N3O2/c1-3(2)4-6(8)5-7/h3,7H,1-2H3,(H,4,5)
InChIKeyUJUKIAAICSQHQH-UHFFFAOYSA-N
MW119.12 g/mol
LogP0.25
Rot. Bonds2

About (Z)-hydroxyimino-oxido-(propan-2-ylamino)azanium

(Z)-hydroxyimino-oxido-(propan-2-ylamino)azanium (PubChem CID 135514547) has the molecular formula C3H9N3O2 and a molecular weight of 119.12 g/mol. Its IUPAC name is (Z)-hydroxyimino-oxido-(propan-2-ylamino)azanium.

Molecular Properties

Compound Name(Z)-hydroxyimino-oxido-(propan-2-ylamino)azanium
PubChem CID135514547
Molecular FormulaC3H9N3O2
Molecular Weight119.12 g/mol
Exact Mass119.07
IUPAC Name(Z)-hydroxyimino-oxido-(propan-2-ylamino)azanium
SMILESCC(C)N/[N+]([O-])=N/O
InChIInChI=1S/C3H9N3O2/c1-3(2)4-6(8)5-7/h3,7H,1-2H3,(H,4,5)
InChIKeyUJUKIAAICSQHQH-UHFFFAOYSA-N
XLogP0.25
TPSA70.69 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (Z)-hydroxyimino-oxido-(propan-2-ylamino)azanium?
The IUPAC name of (Z)-hydroxyimino-oxido-(propan-2-ylamino)azanium (CID 135514547) is (Z)-hydroxyimino-oxido-(propan-2-ylamino)azanium.
What is the SMILES notation for (Z)-hydroxyimino-oxido-(propan-2-ylamino)azanium?
The canonical SMILES for (Z)-hydroxyimino-oxido-(propan-2-ylamino)azanium is CC(C)N/[N+]([O-])=N/O.
What is the InChIKey of (Z)-hydroxyimino-oxido-(propan-2-ylamino)azanium?
The InChIKey is UJUKIAAICSQHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3O2/c1-3(2)4-6(8)5-7/h3,7H,1-2H3,(H,4,5).
What are the key properties of (Z)-hydroxyimino-oxido-(propan-2-ylamino)azanium?
(Z)-hydroxyimino-oxido-(propan-2-ylamino)azanium has a molecular weight of 119.12 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hydroxyimino-oxido-(propan-2-ylamino)azanium is sourced from PubChem (CID 135514547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).