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265111-71-5 | 1,3,5-Triazin-2(1H)-one, 4-amino-6-[(1-hydroxy-1-methylethyl)amino]-
CAS No: 265111-71-5 Catalog No: AG002TJ4 MDL No:
Product Description
Catalog Number:
AG002TJ4
Chemical Name:
1,3,5-Triazin-2(1H)-one, 4-amino-6-[(1-hydroxy-1-methylethyl)amino]-
CAS Number:
265111-71-5
Molecular Formula:
C6H11N5O2
Molecular Weight:
185.1838
IUPAC Name:
6-amino-4-(2-hydroxypropan-2-ylamino)-1H-1,3,5-triazin-2-one
InChI:
InChI=1S/C6H11N5O2/c1-6(2,13)11-4-8-3(7)9-5(12)10-4/h13H,1-2H3,(H4,7,8,9,10,11,12)
InChI Key:
GLMZKARMUAKVEH-UHFFFAOYSA-N
SMILES:
CC(Nc1nc(N)nc(=O)[nH]1)(O)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.091g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
185.187g/mol
Monoisotopic Mass:
185.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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