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84227-39-4 | Imidazo[1,5-d][1,2,4]triazin-4(3H)-one, 8-methyl-1,6-dipropyl-
CAS No: 84227-39-4 Catalog No: AG004Y6T MDL No:
Product Description
Catalog Number:
AG004Y6T
Chemical Name:
Imidazo[1,5-d][1,2,4]triazin-4(3H)-one, 8-methyl-1,6-dipropyl-
CAS Number:
84227-39-4
Molecular Formula:
C12H18N4O
Molecular Weight:
234.2975
IUPAC Name:
8-methyl-1,6-dipropyl-3H-imidazo[1,5-d][1,2,4]triazin-4-one
InChI:
InChI=1S/C12H18N4O/c1-4-6-9-11-8(3)13-10(7-5-2)16(11)12(17)15-14-9/h4-7H2,1-3H3,(H,15,17)
InChI Key:
GYRNWWWCIUGQRS-UHFFFAOYSA-N
SMILES:
CCCc1nc(c2n1c(=O)[nH]nc2CCC)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.148g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.303g/mol
Monoisotopic Mass:
234.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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