4-(ethylamino)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide

C5H9N5O2 — CID 166855165

IUPAC4-(ethylamino)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide
SMILESCCNc1nonc1/C(N)=N/O
InChIInChI=1S/C5H9N5O2/c1-2-7-5-3(4(6)8-11)9-12-10-5/h11H,2H2,1H3,(H2,6,8)(H,7,10)
InChIKeyYULQZPKNKXZFCR-UHFFFAOYSA-N
MW171.16 g/mol
LogP-0.40
Rot. Bonds3

About 4-(ethylamino)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide

4-(ethylamino)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 166855165) has the molecular formula C5H9N5O2 and a molecular weight of 171.16 g/mol. Its IUPAC name is 4-(ethylamino)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound Name4-(ethylamino)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide
PubChem CID166855165
Molecular FormulaC5H9N5O2
Molecular Weight171.16 g/mol
Exact Mass171.08
IUPAC Name4-(ethylamino)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide
SMILESCCNc1nonc1/C(N)=N/O
InChIInChI=1S/C5H9N5O2/c1-2-7-5-3(4(6)8-11)9-12-10-5/h11H,2H2,1H3,(H2,6,8)(H,7,10)
InChIKeyYULQZPKNKXZFCR-UHFFFAOYSA-N
XLogP-0.40
TPSA109.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-0.40
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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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of 4-(ethylamino)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide (CID 166855165) is 4-(ethylamino)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for 4-(ethylamino)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for 4-(ethylamino)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide is CCNc1nonc1/C(N)=N/O.
What is the InChIKey of 4-(ethylamino)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is YULQZPKNKXZFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O2/c1-2-7-5-3(4(6)8-11)9-12-10-5/h11H,2H2,1H3,(H2,6,8)(H,7,10).
What are the key properties of 4-(ethylamino)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide?
4-(ethylamino)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 171.16 g/mol, XLogP of -0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 166855165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).