Home Nitriles 7-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile

7-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile

CAS No.:
1638771-56-8
Catalog Number:
AG00HZ1V
Molecular Formula:
C8H6N4
Molecular Weight:
158.1600
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Product Description
Catalog Number:
AG00HZ1V
Chemical Name:
7-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile
CAS Number:
1638771-56-8
Molecular Formula:
C8H6N4
Molecular Weight:
158.1600
MDL Number:
MFCD27987477
IUPAC Name:
7-methylpyrrolo[2,3-d]pyrimidine-4-carbonitrile
InChI:
InChI=1S/C8H6N4/c1-12-3-2-6-7(4-9)10-5-11-8(6)12/h2-3,5H,1H3
InChI Key:
LWSJWBGIMGQQSL-UHFFFAOYSA-N
SMILES:
N#Cc1ncnc2c1ccn2C
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.059g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.164g/mol
Monoisotopic Mass:
158.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties