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100646-69-3 | 1,3,5-Triazin-2(1H)-one, 6-(propylamino)-
CAS No: 100646-69-3 Catalog No: AG0002K0 MDL No:
Product Description
Catalog Number:
AG0002K0
Chemical Name:
1,3,5-Triazin-2(1H)-one, 6-(propylamino)-
CAS Number:
100646-69-3
Molecular Formula:
C6H10N4O
Molecular Weight:
154.1698
IUPAC Name:
6-(propylamino)-1H-1,3,5-triazin-2-one
InChI:
InChI=1S/C6H10N4O/c1-2-3-7-5-8-4-9-6(11)10-5/h4H,2-3H2,1H3,(H2,7,8,9,10,11)
InChI Key:
RGIPONYHYMPCFC-UHFFFAOYSA-N
SMILES:
CCCNc1ncnc(=O)[nH]1
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.085g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
154.173g/mol
Monoisotopic Mass:
154.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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