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37140-08-2 molecular structure
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7-hydrazinyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

ChemBase ID: 244634
Molecular Formular: C6H8N6
Molecular Mass: 164.16792
Monoisotopic Mass: 164.08104429
SMILES and InChIs

SMILES:
n12c(ncn2)nc(cc1NN)C
Canonical SMILES:
NNc1cc(C)nc2n1ncn2
InChI:
InChI=1S/C6H8N6/c1-4-2-5(11-7)12-6(10-4)8-3-9-12/h2-3,11H,7H2,1H3
InChIKey:
AMAXZVMYLDNQTL-UHFFFAOYSA-N

Cite this record

CBID:244634 http://www.chembase.cn/molecule-244634.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-hydrazinyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
IUPAC Traditional name
7-hydrazinyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
Synonyms
7-hydrazino-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine
CAS Number
37140-08-2
MDL Number
MFCD00227389
PubChem SID
164300544
PubChem CID
520838

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-12076 external link Add to cart Please log in.
Data Source Data ID
PubChem 520838 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.24859963  LogD (pH = 7.4) -0.17615014 
Log P -0.17514361  Molar Refractivity 57.1564 cm3
Polarizability 15.890099 Å3 Polar Surface Area 81.13 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.759 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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