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4-chloropyrrolo[2,1-f][1,2,4]triazine-5-carbaldehyde

4-chloropyrrolo[2,1-f][1,2,4]triazine-5-carbaldehyde - CAS 859854-70-9

Catalog:	BB037794
Product Name:	4-chloropyrrolo[2,1-f][1,2,4]triazine-5-carbaldehyde
CAS:	859854-70-9
Synonyms:	4-chloro-5-pyrrolo[2,1-f][1,2,4]triazinecarboxaldehyde; 4-chloropyrrolo[2,1-f][1,2,4]triazine-5-carbaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	4-chloropyrrolo[2,1-f][1,2,4]triazine-5-carbaldehyde
Description:	4-chloropyrrolo[2,1-f][1,2,4]triazine-5-carbaldehyde (CAS# 859854-70-9 ) is a useful research chemical.
Molecular Weight:	181.579
Molecular Formula:	C7H4ClN3O
Canonical SMILES:	C1=CN2C(=C1C=O)C(=NC=N2)Cl
InChI:	InChI=1S/C7H4ClN3O/c8-7-6-5(3-12)1-2-11(6)10-4-9-7/h1-4H
InChI Key:	GHDZGRBHYUJZBN-UHFFFAOYSA-N
LogP:	1.19520

Publication Number	Title	Priority Date
AU-2004312413-A1	Pyrrolotriazine compounds as kinase inhibitors	20031229
AU-2004312413-B2	Pyrrolotriazine compounds as kinase inhibitors	20031229
AU-2004312413-C1	Pyrrolotriazine compounds as kinase inhibitors	20031229
CA-2552107-C	Pyrrolotriazine compounds as kinase inhibitors	20031229
EP-1699797-A1	Pyrrolotriazine compounds as kinase inhibitors	20031229

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Complexity:	190
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.0042895
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	181.0042895
Rotatable Bond Count:	1
Topological Polar Surface Area:	47.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8