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1-{4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl}ethan-1-one

1-{4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl}ethan-1-one - CAS 939968-16-8

Catalog:	BB041159
Product Name:	1-{4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl}ethan-1-one
CAS:	939968-16-8
Synonyms:	1-(4-amino-7-pyrrolo[2,1-f][1,2,4]triazinyl)ethanone; 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanone

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanone
Description:	1-{4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl}ethan-1-one (CAS# 939968-16-8 ) is a useful research chemical.
Molecular Weight:	176.179
Molecular Formula:	C8H8N4O
Canonical SMILES:	CC(=O)C1=CC=C2N1N=CN=C2N
InChI:	InChI=1S/C8H8N4O/c1-5(13)6-2-3-7-8(9)10-4-11-12(6)7/h2-4H,1H3,(H2,9,10,11)
InChI Key:	GEGNHQIPOMSPJV-UHFFFAOYSA-N
LogP:	1.09530

Publication Number	Title	Priority Date
AU-2006320440-A1	Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis	20051202
AU-2006320440-B2	Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis	20051202
CA-2631741-A1	Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis	20051202
EP-1957485-A2	Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis	20051202
EP-1957485-B1	Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis	20051202

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Complexity:	220
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.06981089
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	176.06981089
Rotatable Bond Count:	1
Topological Polar Surface Area:	73.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1