N'-hydroxy-3-(hydroxyamino)propanimidamide

C3H9N3O2 — CID 54607275

IUPACN'-hydroxy-3-(hydroxyamino)propanimidamide
SMILESN/C(CCNO)=N\O
InChIInChI=1S/C3H9N3O2/c4-3(6-8)1-2-5-7/h5,7-8H,1-2H2,(H2,4,6)
InChIKeyMFFGOILZTVMOEK-UHFFFAOYSA-N
MW119.12 g/mol
LogP-0.90
Rot. Bonds3

About N'-hydroxy-3-(hydroxyamino)propanimidamide

N'-hydroxy-3-(hydroxyamino)propanimidamide (PubChem CID 54607275) has the molecular formula C3H9N3O2 and a molecular weight of 119.12 g/mol. Its IUPAC name is N'-hydroxy-3-(hydroxyamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(hydroxyamino)propanimidamide
PubChem CID54607275
Molecular FormulaC3H9N3O2
Molecular Weight119.12 g/mol
Exact Mass119.07
IUPAC NameN'-hydroxy-3-(hydroxyamino)propanimidamide
SMILESN/C(CCNO)=N\O
InChIInChI=1S/C3H9N3O2/c4-3(6-8)1-2-5-7/h5,7-8H,1-2H2,(H2,4,6)
InChIKeyMFFGOILZTVMOEK-UHFFFAOYSA-N
XLogP-0.90
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-0.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(hydroxyamino)propanimidamide?
The IUPAC name of N'-hydroxy-3-(hydroxyamino)propanimidamide (CID 54607275) is N'-hydroxy-3-(hydroxyamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(hydroxyamino)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(hydroxyamino)propanimidamide is N/C(CCNO)=N\O.
What is the InChIKey of N'-hydroxy-3-(hydroxyamino)propanimidamide?
The InChIKey is MFFGOILZTVMOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3O2/c4-3(6-8)1-2-5-7/h5,7-8H,1-2H2,(H2,4,6).
What are the key properties of N'-hydroxy-3-(hydroxyamino)propanimidamide?
N'-hydroxy-3-(hydroxyamino)propanimidamide has a molecular weight of 119.12 g/mol, XLogP of -0.90, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(hydroxyamino)propanimidamide is sourced from PubChem (CID 54607275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).