CAS 1120-99-6|3-amino-1,2,4-triazine|3-Amino-1,2,4-triazine 97%|1,2,4-Triazin-3-amine|1,2,4-triazin-3-amine|3-AMINO-1,2,4-TRIAZINE|3-氨基-1,2,4-三嗪|3-Amino-1,2,4-triazine|1,2,4-triazin-3-amine

General Information

Structure

Molecular Formula

C₃H₄N₄

Molecular Mass

96.09066

Exact Mass

96.04359615

Charge

0

InChI

InChI=1S/C3H4N4/c4-3-5-1-2-6-7-3/h1-2H,(H2,4,5,7)

InChIKey

MJIWQHRXSLOUJN-UHFFFAOYSA-N

Canonic Smiles

Nc1nccnn1

Isomeric Smiles

n1c(nncc1)N

Calculated Properties

JChem

Acid pKa

14.431144

H Acceptors

4

H Donor

1

LogD (pH = 5.5)

-1.080227

LogD (pH = 7.4)

-1.0801752

Log P

-1.0801744

Molar Refractivity

27.232

Polarizability

8.851675

Polar Surface Area

64.69

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

1,2,4-triazin-3-amine

IUPAC Traditional name

3-amino-1,2,4-triazine

Synonyms

3-Amino-1,2,4-triazine 97%1,2,4-Triazin-3-amine3-AMINO-1,2,4-TRIAZINE3-Amino-1,2,4-triazine3-氨基-1,2,4-三嗪1,2,4-triazin-3-amine

Names and Identifiers

Registration numbers

CAS Number

MDL Number

EC Number

PubChem SID

PubChem CID

Registration numbers

Properties

Physical Property

Melting Point

174-177°C

174-177 °C(lit.)

Partition Coefficient

-0.34147

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

MP Biomedicals

05223324

MP Biomedicals Rare Chemical collection

Sigma Aldrich

100625

Packaging
10, 50 g in poly bottle

Molecule Details

References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:78160