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2219373-82-5 | 6-(2-methylpropanoyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CAS No: 2219373-82-5 Catalog No: AG01FJ7I MDL No:
Product Description
Catalog Number:
AG01FJ7I
Chemical Name:
6-(2-methylpropanoyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CAS Number:
2219373-82-5
Molecular Formula:
C9H10N4O2
Molecular Weight:
206.2013
IUPAC Name:
6-(1-hydroxy-2-methylpropylidene)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
InChI:
InChI=1S/C9H10N4O2/c1-5(2)7(14)6-3-10-9-11-4-12-13(9)8(6)15/h3-5,14H,1-2H3
InChI Key:
HEDOOFPNKMTARJ-UHFFFAOYSA-N
SMILES:
CC(C(=O)c1c[nH]c2n(c1=O)ncn2)C
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.205g/mol
Monoisotopic Mass:
206.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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