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24650-17-7 molecular structure
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1H-1,2,3-triazole-4-carbohydrazide

ChemBase ID: 270617
Molecular Formular: C3H5N5O
Molecular Mass: 127.1047
Monoisotopic Mass: 127.04940981
SMILES and InChIs

SMILES:
c1(nn[nH]c1)C(=O)NN
Canonical SMILES:
NNC(=O)c1c[nH]nn1
InChI:
InChI=1S/C3H5N5O/c4-6-3(9)2-1-5-8-7-2/h1H,4H2,(H,6,9)(H,5,7,8)
InChIKey:
WYLQYIZMHUZWCH-UHFFFAOYSA-N

Cite this record

CBID:270617 http://www.chembase.cn/molecule-270617.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1H-1,2,3-triazole-4-carbohydrazide
IUPAC Traditional name
1H-1,2,3-triazole-4-carbohydrazide
Synonyms
1H-1,2,3-triazole-4-carbohydrazide
1H-[1,2,3]TRIAZOLE-4-CARBOXYLIC ACID HYDRAZIDE
CAS Number
24650-17-7
MDL Number
MFCD06739015
PubChem SID
164326527
PubChem CID
50989778

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 50989778 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.349776  H Acceptors
H Donor LogD (pH = 5.5) -1.2207936 
LogD (pH = 7.4) -2.2159479  Log P -1.163431 
Molar Refractivity 31.2929 cm3 Polarizability 10.703718 Å3
Polar Surface Area 96.69 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-1.626 expand Show data source
Purity
95% expand Show data source
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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