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885272-60-6 molecular structure
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isoquinoline-4-carbohydrazide

ChemBase ID: 811132
Molecular Formular: C10H9N3O
Molecular Mass: 187.19796
Monoisotopic Mass: 187.07456192
SMILES and InChIs

SMILES:
c1cc2c(cc1)c(cnc2)C(=O)NN
Canonical SMILES:
NNC(=O)c1cncc2c1cccc2
InChI:
InChI=1S/C10H9N3O/c11-13-10(14)9-6-12-5-7-3-1-2-4-8(7)9/h1-6H,11H2,(H,13,14)
InChIKey:
JIQUXWSLZSEQLA-UHFFFAOYSA-N

Cite this record

CBID:811132 http://www.chembase.cn/molecule-811132.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
isoquinoline-4-carbohydrazide
IUPAC Traditional name
isoquinoline-4-carbohydrazide
Synonyms
ISOQUINOLINE-4-CARBOXYLIC ACID HYDRAZIDE
CAS Number
885272-60-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O30213 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O30213 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.967039  H Acceptors
H Donor LogD (pH = 5.5) 0.29821694 
LogD (pH = 7.4) 0.29920208  Log P 0.29921475 
Molar Refractivity 53.9138 cm3 Polarizability 21.206959 Å3
Polar Surface Area 68.01 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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