2-(1-aminoethyl)-3-benzyl-3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one - CAS 1823448-14-1

Name: 2-(1-aminoethyl)-3-benzyl-3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB013937
Product Name:	2-(1-aminoethyl)-3-benzyl-3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CAS:	1823448-14-1
Synonyms:	2-(1-aminoethyl)-3-(phenylmethyl)-4-pyrrolo[2,1-f][1,2,4]triazinone; 2-(1-aminoethyl)-3-benzylpyrrolo[2,1-f][1,2,4]triazin-4-one

Technical Data

IUPAC Name:	2-(1-aminoethyl)-3-benzylpyrrolo[2,1-f][1,2,4]triazin-4-one
Description:	2-(1-aminoethyl)-3-benzyl-3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CAS# 1823448-14-1 ) is a useful research chemical.
Molecular Weight:	268.32
Molecular Formula:	C15H16N4O
Canonical SMILES:	CC(C1=NN2C=CC=C2C(=O)N1CC3=CC=CC=C3)N
InChI:	InChI=1S/C15H16N4O/c1-11(16)14-17-19-9-5-8-13(19)15(20)18(14)10-12-6-3-2-4-7-12/h2-9,11H,10,16H2,1H3
InChI Key:	GAHLKBFLTUXRAF-UHFFFAOYSA-N

Complexity:	403
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	268.13241115
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	268.13241115
Rotatable Bond Count:	3
Topological Polar Surface Area:	63.6
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4