2-(4-amino-1,2,5-oxadiazol-3-yl)-N'-hydroxy-2-hydroxyiminoethanimidamide

C4H6N6O3 — CID 136902125

IUPAC2-(4-amino-1,2,5-oxadiazol-3-yl)-N'-hydroxy-2-hydroxyiminoethanimidamide
SMILESN/C(=N\O)C(=NO)c1nonc1N
InChIInChI=1S/C4H6N6O3/c5-3(8-12)1(7-11)2-4(6)10-13-9-2/h11-12H,(H2,5,8)(H2,6,10)
InChIKeyNYMILQMQRBIEKM-UHFFFAOYSA-N
MW186.13 g/mol
LogP-1.42
Rot. Bonds2

About 2-(4-amino-1,2,5-oxadiazol-3-yl)-N'-hydroxy-2-hydroxyiminoethanimidamide

2-(4-amino-1,2,5-oxadiazol-3-yl)-N'-hydroxy-2-hydroxyiminoethanimidamide (PubChem CID 136902125) has the molecular formula C4H6N6O3 and a molecular weight of 186.13 g/mol. Its IUPAC name is 2-(4-amino-1,2,5-oxadiazol-3-yl)-N'-hydroxy-2-hydroxyiminoethanimidamide.

Molecular Properties

Compound Name2-(4-amino-1,2,5-oxadiazol-3-yl)-N'-hydroxy-2-hydroxyiminoethanimidamide
PubChem CID136902125
Molecular FormulaC4H6N6O3
Molecular Weight186.13 g/mol
Exact Mass186.05
IUPAC Name2-(4-amino-1,2,5-oxadiazol-3-yl)-N'-hydroxy-2-hydroxyiminoethanimidamide
SMILESN/C(=N\O)C(=NO)c1nonc1N
InChIInChI=1S/C4H6N6O3/c5-3(8-12)1(7-11)2-4(6)10-13-9-2/h11-12H,(H2,5,8)(H2,6,10)
InChIKeyNYMILQMQRBIEKM-UHFFFAOYSA-N
XLogP-1.42
TPSA156.14 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 5-1.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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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Related Compounds

4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;hydrate
CID 137272272
(Z)-2-amino-2-(4-amino-1,2,5-oxadiazol-3-yl)ethenol
CID 136954150
4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2,3-dihydro-1H-indene
CID 142298336
2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxyacetamide
CID 5363180
(NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-(4-methylpiperazin-4-ium-1-yl)methylidene]hydroxylamine
CID 135821745
(NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[(2R,6S)-4-[(E)-C-(4-amino-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]-2,6-dimethylpiperazin-1-yl]methylidene]hydroxylamine
CID 135874153
N'-hydroxy-4-(methylamino)-1,2,5-oxadiazole-3-carboximidamide
CID 142416542
4-amino-N'-[(4-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 2841390
4-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-1,2,5-oxadiazole-3-carboxamide
CID 94548469
4-amino-N-(2-carbamoylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688483
4-amino-N'-[(4-fluorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 4068250
[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] 3-phenylpropanoate
CID 3645854

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N'-hydroxy-2-hydroxyiminoethanimidamide?
The IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N'-hydroxy-2-hydroxyiminoethanimidamide (CID 136902125) is 2-(4-amino-1,2,5-oxadiazol-3-yl)-N'-hydroxy-2-hydroxyiminoethanimidamide.
What is the SMILES notation for 2-(4-amino-1,2,5-oxadiazol-3-yl)-N'-hydroxy-2-hydroxyiminoethanimidamide?
The canonical SMILES for 2-(4-amino-1,2,5-oxadiazol-3-yl)-N'-hydroxy-2-hydroxyiminoethanimidamide is N/C(=N\O)C(=NO)c1nonc1N.
What is the InChIKey of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N'-hydroxy-2-hydroxyiminoethanimidamide?
The InChIKey is NYMILQMQRBIEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N6O3/c5-3(8-12)1(7-11)2-4(6)10-13-9-2/h11-12H,(H2,5,8)(H2,6,10).
What are the key properties of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N'-hydroxy-2-hydroxyiminoethanimidamide?
2-(4-amino-1,2,5-oxadiazol-3-yl)-N'-hydroxy-2-hydroxyiminoethanimidamide has a molecular weight of 186.13 g/mol, XLogP of -1.42, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1,2,5-oxadiazol-3-yl)-N'-hydroxy-2-hydroxyiminoethanimidamide is sourced from PubChem (CID 136902125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).