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6-tert-butyl-3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one

6-tert-butyl-3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one - CAS 746671-37-4

Catalog:	BB035130
Product Name:	6-tert-butyl-3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CAS:	746671-37-4
Synonyms:	6-tert-butyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one; 6-tert-butyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

Technical Data

Patents

Computed Properties

IUPAC Name:	6-tert-butyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
Description:	6-tert-butyl-3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CAS# 746671-37-4 ) is a useful research chemical.
Molecular Weight:	191.234
Molecular Formula:	C10H13N3O
Canonical SMILES:	CC(C)(C)C1=CN2C(=C1)C(=O)NC=N2
InChI:	InChI=1S/C10H13N3O/c1-10(2,3)7-4-8-9(14)11-6-12-13(8)5-7/h4-6H,1-3H3,(H,11,12,14)
InChI Key:	ZCYAFLDENQTBMF-UHFFFAOYSA-N
LogP:	1.73240

Publication Number	Title	Priority Date
AU-2004268968-A1	Cyclic derivatives as modulators of chemokine receptor activity	20030821
AU-2004268968-B2	Cyclic derivatives as modulators of chemokine receptor activity	20030821
EP-1656138-A2	Substituted cycloalkyamine derivatives as modulators of chemokine receptor activity	20030821
EP-1656345-A1	Cyclic derivatives as modulators of chemokine receptor activity	20030821
EP-1656345-B1	Cyclic derivatives as modulators of chemokine receptor activity	20030821

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Complexity:	280
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.105862047
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	191.105862047
Rotatable Bond Count:	1
Topological Polar Surface Area:	46.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9