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1206825-06-0 | Imidazo[2,1-f][1,2,4]triazin-4(1H)-one
CAS No: 1206825-06-0 Catalog No: AG00HFKP MDL No:MFCD21362528
Product Description
Catalog Number:
AG00HFKP
Chemical Name:
Imidazo[2,1-f][1,2,4]triazin-4(1H)-one
CAS Number:
1206825-06-0
Molecular Formula:
C5H4N4O
Molecular Weight:
136.1115
MDL Number:
MFCD21362528
IUPAC Name:
3H-imidazo[2,1-f][1,2,4]triazin-4-one
InChI:
InChI=1S/C5H4N4O/c10-5-4-6-1-2-9(4)8-3-7-5/h1-3H,(H,7,8,10)
InChI Key:
QMFPURRPZZSJPF-UHFFFAOYSA-N
SMILES:
O=c1[nH]cnn2c1ncc2
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.039g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
136.114g/mol
Monoisotopic Mass:
136.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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