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1005206-16-5

1005206-16-5 | 7H-Pyrrolo[2,3-d]pyrimidine-4-carbonitrile

CAS No: 1005206-16-5 Catalog No: AG000280 MDL No:MFCD17015948

Product Description

Catalog Number:
AG000280
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine-4-carbonitrile
CAS Number:
1005206-16-5
Molecular Formula:
C7H4N4
Molecular Weight:
144.1335
MDL Number:
MFCD17015948
IUPAC Name:
7H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile
InChI:
InChI=1S/C7H4N4/c8-3-6-5-1-2-9-7(5)11-4-10-6/h1-2,4H,(H,9,10,11)
InChI Key:
NEVJGNPIKVWRGX-UHFFFAOYSA-N
SMILES:
N#Cc1ncnc2c1cc[nH]2

Properties

Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.044g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
144.137g/mol
Monoisotopic Mass:
144.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

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