Home Other Building Blocks 1-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethan-1-one

1-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethan-1-one

CAS No.:
907971-17-9
Catalog Number:
AG01BFRQ
Molecular Formula:
C9H10N4O
Molecular Weight:
190.2019
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Product Description
Catalog Number:
AG01BFRQ
Chemical Name:
1-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethan-1-one
CAS Number:
907971-17-9
Molecular Formula:
C9H10N4O
Molecular Weight:
190.2019
MDL Number:
MFCD08361931
IUPAC Name:
1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
InChI:
InChI=1S/C9H10N4O/c1-5-8(7(3)14)6(2)13-9(12-5)10-4-11-13/h4H,1-3H3
InChI Key:
ZFXIRWCJPZRNJH-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(C)nc2n(c1C)ncn2
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.085g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.206g/mol
Monoisotopic Mass:
190.085g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties