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Home > Imidazoles > 55418-17-2
55418-17-2 | 2,4-dimethylimidazo[1,5-a]pyrimidine-8-carbonitrile
CAS No: 55418-17-2 Catalog No: AG00IREM MDL No:MFCD00975066
Product Description
Catalog Number:
AG00IREM
Chemical Name:
2,4-dimethylimidazo[1,5-a]pyrimidine-8-carbonitrile
CAS Number:
55418-17-2
Molecular Formula:
C9H8N4
Molecular Weight:
172.1866
MDL Number:
MFCD00975066
IUPAC Name:
2,4-dimethylimidazo[1,5-a]pyrimidine-8-carbonitrile
InChI:
InChI=1S/C9H8N4/c1-6-3-7(2)13-5-11-8(4-10)9(13)12-6/h3,5H,1-2H3
InChI Key:
BJPHEIVTTKIMHF-UHFFFAOYSA-N
SMILES:
N#Cc1ncn2c1nc(C)cc2C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.191g/mol
Monoisotopic Mass:
172.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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