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84227-36-1 | Imidazo[1,5-d][1,2,4]triazin-4(3H)-one, 1-ethyl-8-methyl-6-propyl-
CAS No: 84227-36-1 Catalog No: AG008GHA MDL No:
Product Description
Catalog Number:
AG008GHA
Chemical Name:
Imidazo[1,5-d][1,2,4]triazin-4(3H)-one, 1-ethyl-8-methyl-6-propyl-
CAS Number:
84227-36-1
Molecular Formula:
C11H16N4O
Molecular Weight:
220.2709
IUPAC Name:
1-ethyl-8-methyl-6-propyl-3H-imidazo[1,5-d][1,2,4]triazin-4-one
InChI:
InChI=1S/C11H16N4O/c1-4-6-9-12-7(3)10-8(5-2)13-14-11(16)15(9)10/h4-6H2,1-3H3,(H,14,16)
InChI Key:
ONHKIFLLHVZOSM-UHFFFAOYSA-N
SMILES:
CCCc1nc(c2n1c(=O)[nH]nc2CC)C
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.132g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.276g/mol
Monoisotopic Mass:
220.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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