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831218-41-8 | 1,2,4-Triazine-5-carbonitrile, 2,5-dihydro-6-methyl-3-phenyl-
CAS No: 831218-41-8 Catalog No: AG0051JK MDL No:
Product Description
Catalog Number:
AG0051JK
Chemical Name:
1,2,4-Triazine-5-carbonitrile, 2,5-dihydro-6-methyl-3-phenyl-
CAS Number:
831218-41-8
Molecular Formula:
C11H10N4
Molecular Weight:
198.2239
IUPAC Name:
6-methyl-3-phenyl-2,5-dihydro-1,2,4-triazine-5-carbonitrile
InChI:
InChI=1S/C11H10N4/c1-8-10(7-12)13-11(15-14-8)9-5-3-2-4-6-9/h2-6,10H,1H3,(H,13,15)
InChI Key:
IDHCFDFHCWDESD-UHFFFAOYSA-N
SMILES:
N#CC1N=C(NN=C1C)c1ccccc1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.091g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.229g/mol
Monoisotopic Mass:
198.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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