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159326-68-8 | Pyrrolo[2,1-f][1,2,4]triazin-4-amine
CAS No: 159326-68-8 Catalog No: AG003KS4 MDL No:MFCD08234647
Product Description
Catalog Number:
AG003KS4
Chemical Name:
Pyrrolo[2,1-f][1,2,4]triazin-4-amine
CAS Number:
159326-68-8
Molecular Formula:
C6H6N4
Molecular Weight:
134.1386
MDL Number:
MFCD08234647
IUPAC Name:
pyrrolo[2,1-f][1,2,4]triazin-4-amine
InChI:
InChI=1S/C6H6N4/c7-6-5-2-1-3-10(5)9-4-8-6/h1-4H,(H2,7,8,9)
InChI Key:
VSPXQZSDPSOPRO-UHFFFAOYSA-N
SMILES:
Nc1ncnn2c1ccc2
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
134.142g/mol
Monoisotopic Mass:
134.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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