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10179-84-7 | 3H-1,2,3-Triazolo[4,5-d]pyrimidin-5-amine
CAS No: 10179-84-7 Catalog No: AG0005KX MDL No:MFCD20616954
Product Description
Catalog Number:
AG0005KX
Chemical Name:
3H-1,2,3-Triazolo[4,5-d]pyrimidin-5-amine
CAS Number:
10179-84-7
Molecular Formula:
C4H4N6
Molecular Weight:
136.1148
MDL Number:
MFCD20616954
IUPAC Name:
2H-triazolo[4,5-d]pyrimidin-5-amine
InChI:
InChI=1S/C4H4N6/c5-4-6-1-2-3(7-4)9-10-8-2/h1H,(H3,5,6,7,8,9,10)
InChI Key:
VJCQEPWQSBKWTE-UHFFFAOYSA-N
SMILES:
Nc1ncc2c(n1)[nH]nn2
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.05g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
136.118g/mol
Monoisotopic Mass:
136.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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