2-(4-Methylphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one - CAS 881481-35-2

Catalog:	BB048972
Product Name:	2-(4-Methylphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
CAS:	881481-35-2
Synonyms:	8-(p-Tolyl)pyrazolo[1,5-d][1,2,4]triazinone; Pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one, 2-(4-methylphenyl)-; 2-(4-methylphenyl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one; 2-p-Tolyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

Technical Data

IUPAC Name:	2-(4-methylphenyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
Description:	2-(4-Methylphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one (CAS# 881481-35-2 ) is a useful research chemical.
Molecular Weight:	226.23
Molecular Formula:	C12H10N4O
Canonical SMILES:	CC1=CC=C(C=C1)C2=NN3C=NNC(=O)C3=C2
InChI:	InChI=1S/C12H10N4O/c1-8-2-4-9(5-3-8)10-6-11-12(17)14-13-7-16(11)15-10/h2-7H,1H3,(H,14,17)
InChI Key:	JZYBOTSHMTZBLF-UHFFFAOYSA-N
Purity:	≥ 95 %
Density:	1.4±0.1 g/cm³

Complexity:	335
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.08546096
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	226.08546096
Rotatable Bond Count:	1
Topological Polar Surface Area:	59.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8