6-Amino-1,2,4-triazine-3,5(2H,4H)-dione - CAS 18802-38-5

Catalog:	BB014483
Product Name:	6-Amino-1,2,4-triazine-3,5(2H,4H)-dione
CAS:	18802-38-5
Synonyms:	6-amino-2H-1,2,4-triazine-3,5-dione; 6-amino-2H-1,2,4-triazine-3,5-dione

Technical Data

Patents

Computed Properties

IUPAC Name:	6-amino-2H-1,2,4-triazine-3,5-dione
Description:	6-Amino-1,2,4-triazine-3,5(2H,4H)-dione (CAS# 18802-38-5) is a useful research chemical.
Molecular Weight:	128.09
Molecular Formula:	C3H4N4O2
Canonical SMILES:	C1(=NNC(=O)NC1=O)N
InChI:	InChI=1S/C3H4N4O2/c4-1-2(8)5-3(9)7-6-1/h(H2,4,6)(H2,5,7,8,9)
InChI Key:	GFJDLRANNRSMCK-UHFFFAOYSA-N
Density:	2.22 g/cm³
MDL:	MFCD01346678
LogP:	-1.37840

Publication Number	Title	Priority Date
EP-3497111-A2	Substituted nucleosides, nucleotides and analogs thereof	20160812
JP-2019524795-A	Substituted nucleosides, nucleotides, and analogs thereof	20160812
US-2019169221-A1	Substituted nucleosides, nucleotides and analogs thereof	20160812
WO-2018031818-A2	Substituted nucleosides, nucleotides and analogs thereof	20160812
US-2013131057-A1	New bicyclic compounds as pi3-k and mtor inhibitors	20100513

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Complexity:	196
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.03342538
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	128.03342538
Rotatable Bond Count:	0
Topological Polar Surface Area:	96.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.8