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10179-83-6 | 3H-1,2,3-Triazolo[4,5-d]pyrimidine, 7-methyl-
CAS No: 10179-83-6 Catalog No: AG0005KY MDL No:
Product Description
Catalog Number:
AG0005KY
Chemical Name:
3H-1,2,3-Triazolo[4,5-d]pyrimidine, 7-methyl-
CAS Number:
10179-83-6
Molecular Formula:
C5H5N5
Molecular Weight:
135.1267
IUPAC Name:
7-methyl-7aH-triazolo[4,5-d]pyrimidine
InChI:
InChI=1S/C5H5N5/c1-3-4-5(7-2-6-3)9-10-8-4/h2,4H,1H3
InChI Key:
ABCIAPZTASSPER-UHFFFAOYSA-N
SMILES:
Cc1ncnc2c1nn[nH]2
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.054g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.13g/mol
Monoisotopic Mass:
135.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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