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70187-82-5 | 6,8-dimethyl-3H,4H-imidazo[1,5-a][1,3,5]triazin-4-one
CAS No: 70187-82-5 Catalog No: AG01C3LY MDL No:MFCD21362624
Product Description
Catalog Number:
AG01C3LY
Chemical Name:
6,8-dimethyl-3H,4H-imidazo[1,5-a][1,3,5]triazin-4-one
CAS Number:
70187-82-5
Molecular Formula:
C7H8N4O
Molecular Weight:
164.1646
MDL Number:
MFCD21362624
IUPAC Name:
6,8-dimethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one
InChI:
InChI=1S/C7H8N4O/c1-4-6-8-3-9-7(12)11(6)5(2)10-4/h3H,1-2H3,(H,8,9,12)
InChI Key:
UKFDXAGJIYSJRX-UHFFFAOYSA-N
SMILES:
Cc1nc(c2n1c(=O)[nH]cn2)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.07g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.168g/mol
Monoisotopic Mass:
164.07g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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