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76357-49-8 | 1H-1,2,3-Triazolo[4,5-d]pyrimidin-5-amine,1-methyl-
CAS No: 76357-49-8 Catalog No: AG0055KO MDL No:
Product Description
Catalog Number:
AG0055KO
Chemical Name:
1H-1,2,3-Triazolo[4,5-d]pyrimidin-5-amine,1-methyl-
CAS Number:
76357-49-8
Molecular Formula:
C5H6N6
Molecular Weight:
150.1413
IUPAC Name:
1-methyltriazolo[4,5-d]pyrimidin-5-amine
InChI:
InChI=1S/C5H6N6/c1-11-3-2-7-5(6)8-4(3)9-10-11/h2H,1H3,(H2,6,7,8)
InChI Key:
XABBSSWNPRYDHZ-UHFFFAOYSA-N
SMILES:
Nc1ncc2c(n1)nnn2C
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.065g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.145g/mol
Monoisotopic Mass:
150.065g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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