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84227-33-8 | Imidazo[1,5-d][1,2,4]triazin-4(3H)-one, 1,8-dimethyl-6-propyl-
CAS No: 84227-33-8 Catalog No: AG004Y6V MDL No:
Product Description
Catalog Number:
AG004Y6V
Chemical Name:
Imidazo[1,5-d][1,2,4]triazin-4(3H)-one, 1,8-dimethyl-6-propyl-
CAS Number:
84227-33-8
Molecular Formula:
C10H14N4O
Molecular Weight:
206.2444
IUPAC Name:
1,8-dimethyl-6-propyl-3H-imidazo[1,5-d][1,2,4]triazin-4-one
InChI:
InChI=1S/C10H14N4O/c1-4-5-8-11-6(2)9-7(3)12-13-10(15)14(8)9/h4-5H2,1-3H3,(H,13,15)
InChI Key:
PQQJTBGWBNXLAY-UHFFFAOYSA-N
SMILES:
CCCc1nc(c2n1c(=O)[nH]nc2C)C
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.117g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.249g/mol
Monoisotopic Mass:
206.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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