CAS 89124-32-3|4-Amino-3-hydrazino-6-methyl-4H-[1,2,4]triazin-5-one|4-amino-3-hydrazinyl-6-methyl-4,5-dihydro-1,2,4-triazin-5-one|4-amino-3-hydrazinyl-6-methyl-1,2,4-triazin-5-one

General Information

Structure

Molecular Formula

C₄H₈N₆O

Molecular Mass

156.14592

Exact Mass

156.07595891

Charge

InChI

InChI=1S/C4H8N6O/c1-2-3(11)10(6)4(7-5)9-8-2/h5-6H2,1H3,(H,7,9)

InChIKey

KFFPBWZQPPESLP-UHFFFAOYSA-N

Canonic Smiles

NNc1nnc(c(=O)n1N)C

Isomeric Smiles

n1(c(nnc(c1=O)C)NN)N

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.7955314

LogD (pH = 7.4)

-1.721394

Log P

-1.720362

Molar Refractivity

50.1518

Polarizability

14.147361

Polar Surface Area

109.1

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

4-Amino-3-hydrazino-6-methyl-4H-[1,2,4]triazin-5-one

IUPAC name

4-amino-3-hydrazinyl-6-methyl-4,5-dihydro-1,2,4-triazin-5-one

IUPAC Traditional name

4-amino-3-hydrazinyl-6-methyl-1,2,4-triazin-5-one

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Registration numbers

Properties

Product Information

Purity

95+%

Physical Property

Partition Coefficient

-1.65247

Properties

Related Proteins

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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 SID

• PubChem CID

Properties

• Product Information

• Physical Property

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:113362