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140911-18-8 | 1,2,4-Triazolo[4,3-a]pyrazin-8(7H)-one, 3,5,6-trimethyl-
CAS No: 140911-18-8 Catalog No: AG001D01 MDL No:
Product Description
Catalog Number:
AG001D01
Chemical Name:
1,2,4-Triazolo[4,3-a]pyrazin-8(7H)-one, 3,5,6-trimethyl-
CAS Number:
140911-18-8
Molecular Formula:
C8H10N4O
Molecular Weight:
178.1912
IUPAC Name:
3,5,6-trimethyl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
InChI:
InChI=1S/C8H10N4O/c1-4-5(2)12-6(3)10-11-7(12)8(13)9-4/h1-3H3,(H,9,13)
InChI Key:
SBSRYDVWQTYLFL-UHFFFAOYSA-N
SMILES:
Cc1nnc2n1c(C)c(C)[nH]c2=O
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.085g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.195g/mol
Monoisotopic Mass:
178.085g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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