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113398-02-0,MFCD00141854
Catalog No.:AA0008C7
113398-02-0 | 1H-Pyrrole-2-carboxylic acid, 1-methyl-, hydrazide
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0008C7
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 1-methyl-, hydrazide
CAS Number:
113398-02-0
Molecular Formula:
C6H9N3O
Molecular Weight:
139.1552
MDL Number:
MFCD00141854
IUPAC Name:
1-methylpyrrole-2-carbohydrazide
InChI:
InChI=1S/C6H9N3O/c1-9-4-2-3-5(9)6(10)8-7/h2-4H,7H2,1H3,(H,8,10)
InChI Key:
JPZLSTHDNAMYND-UHFFFAOYSA-N
SMILES:
NNC(=O)c1cccn1C
Properties
Computed Properties
 
Complexity:
137  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.075g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
139.158g/mol
Monoisotopic Mass:
139.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  

Synonyms
 
1-methyl-1H-pyrrole-2-carbohydrazide 
113398-02-0 
SCHEMBL1877283 
CTK0I2653 
KS-00001UDD 
DTXSID50377052 
JPZLSTHDNAMYND-UHFFFAOYSA-N 
HMS1784E01 
ZINC168233 
9018AC 
MFCD00141854 
SBB055790 
1-methylpyrrole-2-carbohydrazide 
AKOS001107052 
MCULE-7236043735 
NE20845 
RP09804 
RTR-002595 
TR-002595 
FT-0680188 
EN300-14157 
2F-025 
1-methyl-1H-pyrrole-2-carbohydrazide, AldrichCPR 
1H-Pyrrole-2-carboxylic acid, 1-methyl-, hydrazide 
I11-781 
J-504902 
C6H9N3O 
ZINC00168233 
CID2763610 
A146 
1-Methyl-1H-pyrrole-2-carboxylic acid hydrazide 
1H-Pyrrole-2-carboxylicacid, 1-methyl-, hydrazide 
ACMC-20dtrp 
AC1Q3YWO 
methylpyrrolecarbohydrazide 
AC1MC8K2 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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