CAS 30720-84-4|4-Amino-furazan-3-carboxylic acid methylamide|4-amino-N-methyl-1,2,5-oxadiazole-3-carboxamide|4-amino-N-methyl-1,2,5-oxadiazole-3-carboxamide|4-amino-N-methyl-1,2,5-oxadiazole-3-carbo...

General Information

Structure

Molecular Formula

C₄H₆N₄O₂

Molecular Mass

142.11604

Exact Mass

142.04907545

Charge

InChI

InChI=1S/C4H6N4O2/c1-6-4(9)2-3(5)8-10-7-2/h1H3,(H2,5,8)(H,6,9)

InChIKey

NIKIVUSRYOJGHV-UHFFFAOYSA-N

Canonic Smiles

CNC(=O)c1nonc1N

Isomeric Smiles

c1(c(non1)N)C(=O)NC

Calculated Properties

JChem

Acid pKa

11.224349

H Acceptors

H Donor

LogD (pH = 5.5)

-0.5622114

LogD (pH = 7.4)

-0.5622683

Log P

-0.5622106

Molar Refractivity

35.0456

Polarizability

11.521051

Polar Surface Area

94.04

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

4-Amino-furazan-3-carboxylic acid methylamide4-amino-N-methyl-1,2,5-oxadiazole-3-carboxamide

IUPAC name

4-amino-N-methyl-1,2,5-oxadiazole-3-carboxamide

IUPAC Traditional name

4-amino-N-methyl-1,2,5-oxadiazole-3-carboxamide

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

Registration numbers

Properties

Safety Information

TSCA Listed

false

Storage Warning

IRRITANT

MSDS Link

Download link

Properties

Related Proteins

No Data Available

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Molecular Spectra

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Molecule Details

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

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General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Commercial Catalog

• Academic Data

Names and Identifiers

• Synonyms

• IUPAC name

• IUPAC Traditional name

Registration numbers

• CAS Number

• MDL Number

• PubChem CID

• PubChem SID

• Safety Information

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:18772