2-thioxo-1H-pyrrolo[2,1-f][1,2,4]triazin-4-one - CAS 1232815-49-4

Catalog:	BB005652
Product Name:	2-thioxo-1H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CAS:	1232815-49-4
Synonyms:	2-sulfanylidene-1H-pyrrolo[2,1-f][1,2,4]triazin-4-one; 2-sulfanylidene-1H-pyrrolo[2,1-f][1,2,4]triazin-4-one

Technical Data

Patents

Computed Properties

IUPAC Name:	2-sulfanylidene-1H-pyrrolo[2,1-f][1,2,4]triazin-4-one
Description:	2-thioxo-1H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CAS# 1232815-49-4 ) is a useful research chemical.
Molecular Weight:	167.186
Molecular Formula:	C6H5N3OS
Canonical SMILES:	C1=CN2C(=C1)C(=O)NC(=S)N2
InChI:	InChI=1S/C6H5N3OS/c10-5-4-2-1-3-9(4)8-6(11)7-5/h1-3H,(H2,7,8,10,11)
InChI Key:	LJVGPQVQNTZJLD-UHFFFAOYSA-N
LogP:	1.09750

Publication Number	Title	Priority Date
CN-111018860-A	Pyrrolotriazines and application thereof	20181010
WO-2020073749-A1	Pyrrolotriazine compound and uses thereof	20181010
CA-3078942-A1	Pyrrolotriazine compounds and methods of inhibiting tam kinases	20171010
WO-2019074962-A1	PYRROLOTRIAZINE COMPOUNDS AND METHODS FOR INHIBITING TAM KINASES	20171010
EP-3694860-A1	Pyrrolotriazine compounds and methods of inhibiting tam kinases	20171010

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Complexity:	218
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.01533297
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	167.01533297
Rotatable Bond Count:	0
Topological Polar Surface Area:	78.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6