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831218-15-6 | 1,2,4-Triazine, 3-ethyl-2,3,4,5-tetrahydro-4-hydroxy-5-methyl-6-phenyl-
CAS No: 831218-15-6 Catalog No: AG004WBC MDL No:
Product Description
Catalog Number:
AG004WBC
Chemical Name:
1,2,4-Triazine, 3-ethyl-2,3,4,5-tetrahydro-4-hydroxy-5-methyl-6-phenyl-
CAS Number:
831218-15-6
Molecular Formula:
C12H17N3O
Molecular Weight:
219.2829
IUPAC Name:
3-ethyl-4-hydroxy-5-methyl-6-phenyl-3,5-dihydro-2H-1,2,4-triazine
InChI:
InChI=1S/C12H17N3O/c1-3-11-13-14-12(9(2)15(11)16)10-7-5-4-6-8-10/h4-9,11,13,16H,3H2,1-2H3
InChI Key:
VBCLTDCYFUHXBG-UHFFFAOYSA-N
SMILES:
CCC1NN=C(C(N1O)C)c1ccccc1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.288g/mol
Monoisotopic Mass:
219.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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