(Z)-2-amino-2-(4-amino-1,2,5-oxadiazol-3-yl)ethenol

C4H6N4O2 — CID 136954150

IUPAC(Z)-2-amino-2-(4-amino-1,2,5-oxadiazol-3-yl)ethenol
SMILESN/C(=C\O)c1nonc1N
InChIInChI=1S/C4H6N4O2/c5-2(1-9)3-4(6)8-10-7-3/h1,9H,5H2,(H2,6,8)/b2-1-
InChIKeyZULOKGNTSHDETJ-UPHRSURJSA-N
MW142.12 g/mol
LogP-0.53
Rot. Bonds1

About (Z)-2-amino-2-(4-amino-1,2,5-oxadiazol-3-yl)ethenol

(Z)-2-amino-2-(4-amino-1,2,5-oxadiazol-3-yl)ethenol (PubChem CID 136954150) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is (Z)-2-amino-2-(4-amino-1,2,5-oxadiazol-3-yl)ethenol.

Molecular Properties

Compound Name(Z)-2-amino-2-(4-amino-1,2,5-oxadiazol-3-yl)ethenol
PubChem CID136954150
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Name(Z)-2-amino-2-(4-amino-1,2,5-oxadiazol-3-yl)ethenol
SMILESN/C(=C\O)c1nonc1N
InChIInChI=1S/C4H6N4O2/c5-2(1-9)3-4(6)8-10-7-3/h1,9H,5H2,(H2,6,8)/b2-1-
InChIKeyZULOKGNTSHDETJ-UPHRSURJSA-N
XLogP-0.53
TPSA111.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;hydrate
CID 137272272
2-(4-amino-1,2,5-oxadiazol-3-yl)-N'-hydroxy-2-hydroxyiminoethanimidamide
CID 136902125
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'-[(4-fluorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 4068250
2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxyacetamide
CID 5363180
4-amino-N'-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 135867698
4-amino-N'-[(3,4-dihydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 135601214
4-amino-N'-[(E)-(5-bromofuran-2-yl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 131666085
4-amino-N-(1,3-dihydroxypropan-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 65314664
4-amino-N'-[(4-ethylphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 43834602
4-amino-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 7788258

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-2-(4-amino-1,2,5-oxadiazol-3-yl)ethenol?
The IUPAC name of (Z)-2-amino-2-(4-amino-1,2,5-oxadiazol-3-yl)ethenol (CID 136954150) is (Z)-2-amino-2-(4-amino-1,2,5-oxadiazol-3-yl)ethenol.
What is the SMILES notation for (Z)-2-amino-2-(4-amino-1,2,5-oxadiazol-3-yl)ethenol?
The canonical SMILES for (Z)-2-amino-2-(4-amino-1,2,5-oxadiazol-3-yl)ethenol is N/C(=C\O)c1nonc1N.
What is the InChIKey of (Z)-2-amino-2-(4-amino-1,2,5-oxadiazol-3-yl)ethenol?
The InChIKey is ZULOKGNTSHDETJ-UPHRSURJSA-N. The full InChI is InChI=1S/C4H6N4O2/c5-2(1-9)3-4(6)8-10-7-3/h1,9H,5H2,(H2,6,8)/b2-1-.
What are the key properties of (Z)-2-amino-2-(4-amino-1,2,5-oxadiazol-3-yl)ethenol?
(Z)-2-amino-2-(4-amino-1,2,5-oxadiazol-3-yl)ethenol has a molecular weight of 142.12 g/mol, XLogP of -0.53, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-2-(4-amino-1,2,5-oxadiazol-3-yl)ethenol is sourced from PubChem (CID 136954150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).