CAS 878417-21-1|1,2,3,7,8,9-hexahydrocyclopenta[d]cyclopenta[3,4]pyrazolo[1,5-a]pyrimidin-6-amine|1,8,15-triazatetracyclo[7.6.0.03,7.010,1...

General Information

Structure

Molecular Formula

C₁₂H₁₄N₄

Molecular Mass

214.26636

Exact Mass

214.12184647

Charge

InChI

InChI=1S/C12H14N4/c13-11-7-3-1-5-9(7)14-12-8-4-2-6-10(8)15-16(11)12/h1-6,13H2

InChIKey

DKJLZDLLDSQAOK-UHFFFAOYSA-N

Canonic Smiles

Nc1c2CCCc2nc2n1nc1c2CCC1

Isomeric Smiles

n12c(nc3c(c1N)CCC3)c1c(n2)CCC1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.6763226

LogD (pH = 7.4)

1.676538

Log P

1.6765407

Molar Refractivity

72.6421

Polarizability

22.798738

Polar Surface Area

56.21

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

1,2,3,7,8,9-hexahydrocyclopenta[d]cyclopenta[3,4]pyrazolo[1,5-a]pyrimidin-6-amine1,2,3,7,8,9-hexahydrocyclopenta[3,4]pyrazolo[1,5-a]cyclopenta[d]pyrimidin-6-amine

IUPAC Traditional name

1,8,15-triazatetracyclo[7.6.0.0³,⁷.0¹⁰,¹⁴]pentadeca-2,7,9,14-tetraen-2-amine

IUPAC name

1,8,15-triazatetracyclo[7.6.0.0³,⁷.0¹⁰,¹⁴]pentadeca-2,7,9,14-tetraen-2-amine

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

Registration numbers

Properties

No Data Available

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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 Traditional name

• IUPAC name

Registration numbers

• CAS Number

• MDL Number

• PubChem CID

• PubChem SID

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:121690