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831218-60-1 | 1,2,4-Triazin-5-amine, 2,5-dihydro-3-phenyl-
CAS No: 831218-60-1 Catalog No: AG004WB5 MDL No:
Product Description
Catalog Number:
AG004WB5
Chemical Name:
1,2,4-Triazin-5-amine, 2,5-dihydro-3-phenyl-
CAS Number:
831218-60-1
Molecular Formula:
C9H10N4
Molecular Weight:
174.2025
IUPAC Name:
3-phenyl-2,5-dihydro-1,2,4-triazin-5-amine
InChI:
InChI=1S/C9H10N4/c10-8-6-11-13-9(12-8)7-4-2-1-3-5-7/h1-6,8H,10H2,(H,12,13)
InChI Key:
ZWQDVUMLUVPZBO-UHFFFAOYSA-N
SMILES:
NC1C=NNC(=N1)c1ccccc1
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.091g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.207g/mol
Monoisotopic Mass:
174.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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