methyl 4-aminopyrazolo[3,2-c][1,2,4]triazine-3-carboxylate|methyl 4-aminopyrazolo[3,2-c][1,2,4]triazine-3-carboxylate|methyl 4-aminopyrazolo[5,1-c][1,2,4]triazine-3-carboxylate

General Information

Structure

Molecular Formula

C₇H₇N₅O₂

Molecular Mass

193.16278

Exact Mass

193.05997449

Charge

InChI

InChI=1S/C7H7N5O2/c1-14-7(13)5-6(8)12-4(10-11-5)2-3-9-12/h2-3H,8H2,1H3

InChIKey

XSZCLZWQSTXVTO-UHFFFAOYSA-N

Canonic Smiles

COC(=O)c1nnc2n(c1N)ncc2

Isomeric Smiles

c1(n2c(nnc1C(=O)OC)ccn2)N

Calculated Properties

JChem

Acid pKa

19.42278

H Acceptors

H Donor

LogD (pH = 5.5)

-0.22711821

LogD (pH = 7.4)

-0.22710516

Log P

-0.22710499

Molar Refractivity

59.2439

Polarizability

17.234972

Polar Surface Area

95.4

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC name

methyl 4-aminopyrazolo[3,2-c][1,2,4]triazine-3-carboxylate

IUPAC Traditional name

methyl 4-aminopyrazolo[3,2-c][1,2,4]triazine-3-carboxylate

Synonyms

methyl 4-aminopyrazolo[5,1-c][1,2,4]triazine-3-carboxylate

Names and Identifiers

Registration numbers

PubChem SID

162218053

PubChem CID

43839785

Registration numbers

Properties

No Data Available

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Related Proteins

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Molecular Spectra

No Data Available

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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

Molecule

ID:123700