4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;hydrate

C3H7N5O3 — CID 137272272

IUPAC4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;hydrate
SMILESN/C(=N/O)c1nonc1N.O
InChIInChI=1S/C3H5N5O2.H2O/c4-2(6-9)1-3(5)8-10-7-1;/h9H,(H2,4,6)(H2,5,8);1H2
InChIKeyGASKVCSPWWEGEU-UHFFFAOYSA-N
MW161.12 g/mol
LogP-2.08
Rot. Bonds1

About 4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;hydrate

4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;hydrate (PubChem CID 137272272) has the molecular formula C3H7N5O3 and a molecular weight of 161.12 g/mol. Its IUPAC name is 4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;hydrate.

Molecular Properties

Compound Name4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;hydrate
PubChem CID137272272
Molecular FormulaC3H7N5O3
Molecular Weight161.12 g/mol
Exact Mass161.05
IUPAC Name4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;hydrate
SMILESN/C(=N/O)c1nonc1N.O
InChIInChI=1S/C3H5N5O2.H2O/c4-2(6-9)1-3(5)8-10-7-1;/h9H,(H2,4,6)(H2,5,8);1H2
InChIKeyGASKVCSPWWEGEU-UHFFFAOYSA-N
XLogP-2.08
TPSA155.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.12
LogP ≤ 5-2.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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;2,3-dihydro-1H-indene
CID 142298336
2-(4-amino-1,2,5-oxadiazol-3-yl)-N'-hydroxy-2-hydroxyiminoethanimidamide
CID 136902125
N'-hydroxy-4-(methylamino)-1,2,5-oxadiazole-3-carboximidamide
CID 142416542
2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxyacetamide
CID 5363180
(Z)-2-amino-2-(4-amino-1,2,5-oxadiazol-3-yl)ethenol
CID 136954150
4-amino-N'-[(4-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 2841390
4-amino-N'-[(4-fluorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 4068250
[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] N-tert-butylcarbamate
CID 5372680
4-amino-N'-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 135688105
4-amino-N'-[(2-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide
CID 70642650
2-amino-3-[[4-[(Z)-N'-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]sulfanyl]propanamide
CID 137296270
4-amino-N'-[(4-chlorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide
CID 2848662

Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;hydrate?
The IUPAC name of 4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;hydrate (CID 137272272) is 4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;hydrate.
What is the SMILES notation for 4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;hydrate?
The canonical SMILES for 4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;hydrate is N/C(=N/O)c1nonc1N.O.
What is the InChIKey of 4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;hydrate?
The InChIKey is GASKVCSPWWEGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N5O2.H2O/c4-2(6-9)1-3(5)8-10-7-1;/h9H,(H2,4,6)(H2,5,8);1H2.
What are the key properties of 4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;hydrate?
4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;hydrate has a molecular weight of 161.12 g/mol, XLogP of -2.08, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;hydrate is sourced from PubChem (CID 137272272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).