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20420-86-4 | 7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one, 3,6-dihydro-3-methyl-
CAS No: 20420-86-4 Catalog No: AG0029CP MDL No:MFCD16653080
Product Description
Catalog Number:
AG0029CP
Chemical Name:
7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one, 3,6-dihydro-3-methyl-
CAS Number:
20420-86-4
Molecular Formula:
C5H5N5O
Molecular Weight:
151.1261
MDL Number:
MFCD16653080
IUPAC Name:
3-methyl-6H-triazolo[4,5-d]pyrimidin-7-one
InChI:
InChI=1S/C5H5N5O/c1-10-4-3(8-9-10)5(11)7-2-6-4/h2H,1H3,(H,6,7,11)
InChI Key:
BNVZNWHPIOKGRM-UHFFFAOYSA-N
SMILES:
Cn1nnc2c1nc[nH]c2=O
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.049g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.129g/mol
Monoisotopic Mass:
151.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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