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20062-41-3 molecular structure
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3-methyl-[1,2,4]triazolo[3,4-a]phthalazine

ChemBase ID: 174370
Molecular Formular: C10H8N4
Molecular Mass: 184.19732
Monoisotopic Mass: 184.07489628
SMILES and InChIs

SMILES:
c12c(cccc1)cnn1c2nnc1C
Canonical SMILES:
Cc1nnc2n1ncc1c2cccc1
InChI:
InChI=1S/C10H8N4/c1-7-12-13-10-9-5-3-2-4-8(9)6-11-14(7)10/h2-6H,1H3
InChIKey:
HAADZFBBHXCGLW-UHFFFAOYSA-N

Cite this record

CBID:174370 http://www.chembase.cn/molecule-174370.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methyl-[1,2,4]triazolo[3,4-a]phthalazine
IUPAC Traditional name
3-methyltriazolophthalazine
Synonyms
3-Methyl-s-triazolo[3,4-a]phthalazine
3-Methyltriazolo[3,4-a]phthalazine
MTP
NSC 116346
3-Methyl-1,2,4-triazolo[3,4-a]phthalazine
CAS Number
20062-41-3
PubChem SID
164230280
PubChem CID
97339

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M330777 external link Add to cart
PubChem 97339 external link
Data Source Data ID Price
TRC
M330777 external link Add to cart Please log in.
Data Source Data ID
PubChem 97339 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.8049984  LogD (pH = 7.4) 0.80506164 
Log P 0.8050625  Molar Refractivity 64.8807 cm3
Polarizability 20.801968 Å3 Polar Surface Area 43.08 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Dichloromethane expand Show data source
Apperance
Yellow Solid expand Show data source
Melting Point
168-170°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M330777 external link
3-Methyl-1,2,4-triazolo[3,4-a]phthalazine (MTP) is a metabolite of Hydralazine (HP) (H716531) produced by rat liver microsomes.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Zimmer, H., et al.: Pharmazie, 37(6)
  • • 451 (6)
  • • LaCagnin, L.B., et al.: Drug Metab. Dispos., 14, 549 (6)
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PATENTS

PATENTS

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INTERNET

INTERNET

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