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831218-62-3 | 1,2,4-Triazine-3,5-diamine, 2,5-dihydro-
CAS No: 831218-62-3 Catalog No: AG0051JE MDL No:
Product Description
Catalog Number:
AG0051JE
Chemical Name:
1,2,4-Triazine-3,5-diamine, 2,5-dihydro-
CAS Number:
831218-62-3
Molecular Formula:
C3H7N5
Molecular Weight:
113.1212
IUPAC Name:
2,5-dihydro-1,2,4-triazine-3,5-diamine
InChI:
InChI=1S/C3H7N5/c4-2-1-6-8-3(5)7-2/h1-2H,4H2,(H3,5,7,8)
InChI Key:
OYHDTTZMYZRLJI-UHFFFAOYSA-N
SMILES:
NC1=NC(C=NN1)N
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.07g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
113.124g/mol
Monoisotopic Mass:
113.07g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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