2-amino-3-tert-butyl-5-methylimidazo[2,1-f][1,2,4]triazin-5-ium-4-one;7-amino-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;2-amino-3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-amino-6-tert-butylpyrido[2,3-d]pyridazin-5-one;2-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-[3-(aminomethyl)azetidin-1-yl]-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;7-(azetidin-3-ylamino)-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;7-bromo-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-7-chloro-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5-methyl-7-(4-methylpiperazin-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methyl-7-piperidin-1-ylimidazo[5,1-f][1,2,4]triazin-4-one;2-tert-butylpyrido[1,2-d][1,2,4]triazine-1,6-dione

C152H221BrClN60O14+ — CID 158353285

IUPAC2-amino-3-tert-butyl-5-methylimidazo[2,1-f][1,2,4]triazin-5-ium-4-one;7-amino-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;2-amino-3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-amino-6-tert-butylpyrido[2,3-d]pyridazin-5-one;2-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-[3-(aminomethyl)azetidin-1-yl]-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;7-(azetidin-3-ylamino)-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;7-bromo-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-7-chloro-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5-methyl-7-(4-methylpiperazin-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methyl-7-piperidin-1-ylimidazo[5,1-f][1,2,4]triazin-4-one;2-tert-butylpyrido[1,2-d][1,2,4]triazine-1,6-dione
SMILESCC(C)(C)n1c(N)nc2ncccc2c1=O.CC(C)(C)n1ncc2nc(N)ccc2c1=O.CC(C)(C)n1ncn2c(=O)cccc2c1=O.CN1CCc2c(ncn(C(C)(C)C)c2=O)C1.C[n+]1ccn2nc(N)n(C(C)(C)C)c(=O)c21.Cc1cnn2nc(N)n(C(C)(C)C)c(=O)c12.Cc1nc(Br)n2ncn(C(C)(C)C)c(=O)c12.Cc1nc(Cl)n2ncn(C(C)(C)C)c(=O)c12.Cc1nc(N)n2ncn(C(C)(C)C)c(=O)c12.Cc1nc(N2CC(CN)C2)n2ncn(C(C)(C)C)c(=O)c12.Cc1nc(N2CCCCC2)n2ncn(C(C)(C)C)c(=O)c12.Cc1nc(N2CCN(C)CC2)n2ncn(C(C)(C)C)c(=O)c12.Cc1nc(NC2CNC2)n2ncn(C(C)(C)C)c(=O)c12
InChIInChI=1S/C15H24N6O.C15H23N5O.C14H22N6O.C13H20N6O.C12H19N3O.2C11H14N4O.C11H13N3O2.C10H13BrN4O.C10H13ClN4O.3C10H15N5O/c1-11-12-13(22)20(15(2,3)4)10-16-21(12)14(17-11)19-8-6-18(5)7-9-19;1-11-12-13(21)19(15(2,3)4)10-16-20(12)14(17-11)18-8-6-5-7-9-18;1-9-11-12(21)19(14(2,3)4)8-16-20(11)13(17-9)18-6-10(5-15)7-18;1-8-10-11(20)18(13(2,3)4)7-15-19(10)12(16-8)17-9-5-14-6-9;1-12(2,3)15-8-13-10-7-14(4)6-5-9(10)11(15)16;1-11(2,3)15-10(16)7-4-5-9(12)14-8(7)6-13-15;1-11(2,3)15-9(16)7-5-4-6-13-8(7)14-10(15)12;1-11(2,3)14-10(16)8-5-4-6-9(15)13(8)7-12-14;2*1-6-7-8(16)14(10(2,3)4)5-12-15(7)9(11)13-6;1-10(2,3)15-8(16)7-13(4)5-6-14(7)12-9(15)11;1-6-7-8(16)14(10(2,3)4)5-12-15(7)9(11)13-6;1-6-5-12-15-7(6)8(16)14(9(11)13-15)10(2,3)4/h10H,6-9H2,1-5H3;10H,5-9H2,1-4H3;8,10H,5-7,15H2,1-4H3;7,9,14H,5-6H2,1-4H3,(H,16,17);8H,5-7H2,1-4H3;4-6H,1-3H3,(H2,12,14);4-6H,1-3H3,(H2,12,13,14);4-7H,1-3H3;2*5H,1-4H3;5-6H,1-4H3,(H-,11,12,16);2*5H,1-4H3,(H2,11,13)/p+1
InChIKeyVFLUTUDZRPRRRC-UHFFFAOYSA-O
MW3228.20 g/mol
LogP11.25
Rot. Bonds6

About 2-amino-3-tert-butyl-5-methylimidazo[2,1-f][1,2,4]triazin-5-ium-4-one;7-amino-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;2-amino-3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-amino-6-tert-butylpyrido[2,3-d]pyridazin-5-one;2-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-[3-(aminomethyl)azetidin-1-yl]-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;7-(azetidin-3-ylamino)-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;7-bromo-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-7-chloro-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5-methyl-7-(4-methylpiperazin-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methyl-7-piperidin-1-ylimidazo[5,1-f][1,2,4]triazin-4-one;2-tert-butylpyrido[1,2-d][1,2,4]triazine-1,6-dione

2-amino-3-tert-butyl-5-methylimidazo[2,1-f][1,2,4]triazin-5-ium-4-one;7-amino-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;2-amino-3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-amino-6-tert-butylpyrido[2,3-d]pyridazin-5-one;2-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-[3-(aminomethyl)azetidin-1-yl]-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;7-(azetidin-3-ylamino)-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;7-bromo-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-7-chloro-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5-methyl-7-(4-methylpiperazin-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methyl-7-piperidin-1-ylimidazo[5,1-f][1,2,4]triazin-4-one;2-tert-butylpyrido[1,2-d][1,2,4]triazine-1,6-dione (PubChem CID 158353285) has the molecular formula C152H221BrClN60O14+ and a molecular weight of 3228.20 g/mol. Its IUPAC name is 2-amino-3-tert-butyl-5-methylimidazo[2,1-f][1,2,4]triazin-5-ium-4-one;7-amino-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;2-amino-3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-amino-6-tert-butylpyrido[2,3-d]pyridazin-5-one;2-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-[3-(aminomethyl)azetidin-1-yl]-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;7-(azetidin-3-ylamino)-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;7-bromo-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-7-chloro-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5-methyl-7-(4-methylpiperazin-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methyl-7-piperidin-1-ylimidazo[5,1-f][1,2,4]triazin-4-one;2-tert-butylpyrido[1,2-d][1,2,4]triazine-1,6-dione.

Molecular Properties

Compound Name2-amino-3-tert-butyl-5-methylimidazo[2,1-f][1,2,4]triazin-5-ium-4-one;7-amino-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;2-amino-3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-amino-6-tert-butylpyrido[2,3-d]pyridazin-5-one;2-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-[3-(aminomethyl)azetidin-1-yl]-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;7-(azetidin-3-ylamino)-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;7-bromo-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-7-chloro-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5-methyl-7-(4-methylpiperazin-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methyl-7-piperidin-1-ylimidazo[5,1-f][1,2,4]triazin-4-one;2-tert-butylpyrido[1,2-d][1,2,4]triazine-1,6-dione
PubChem CID158353285
Molecular FormulaC152H221BrClN60O14+
Molecular Weight3228.20 g/mol
Exact Mass3224.73
IUPAC Name2-amino-3-tert-butyl-5-methylimidazo[2,1-f][1,2,4]triazin-5-ium-4-one;7-amino-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;2-amino-3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-amino-6-tert-butylpyrido[2,3-d]pyridazin-5-one;2-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-[3-(aminomethyl)azetidin-1-yl]-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;7-(azetidin-3-ylamino)-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;7-bromo-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-7-chloro-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5-methyl-7-(4-methylpiperazin-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methyl-7-piperidin-1-ylimidazo[5,1-f][1,2,4]triazin-4-one;2-tert-butylpyrido[1,2-d][1,2,4]triazine-1,6-dione
SMILESCC(C)(C)n1c(N)nc2ncccc2c1=O.CC(C)(C)n1ncc2nc(N)ccc2c1=O.CC(C)(C)n1ncn2c(=O)cccc2c1=O.CN1CCc2c(ncn(C(C)(C)C)c2=O)C1.C[n+]1ccn2nc(N)n(C(C)(C)C)c(=O)c21.Cc1cnn2nc(N)n(C(C)(C)C)c(=O)c12.Cc1nc(Br)n2ncn(C(C)(C)C)c(=O)c12.Cc1nc(Cl)n2ncn(C(C)(C)C)c(=O)c12.Cc1nc(N)n2ncn(C(C)(C)C)c(=O)c12.Cc1nc(N2CC(CN)C2)n2ncn(C(C)(C)C)c(=O)c12.Cc1nc(N2CCCCC2)n2ncn(C(C)(C)C)c(=O)c12.Cc1nc(N2CCN(C)CC2)n2ncn(C(C)(C)C)c(=O)c12.Cc1nc(NC2CNC2)n2ncn(C(C)(C)C)c(=O)c12
InChIInChI=1S/C15H24N6O.C15H23N5O.C14H22N6O.C13H20N6O.C12H19N3O.2C11H14N4O.C11H13N3O2.C10H13BrN4O.C10H13ClN4O.3C10H15N5O/c1-11-12-13(22)20(15(2,3)4)10-16-21(12)14(17-11)19-8-6-18(5)7-9-19;1-11-12-13(21)19(15(2,3)4)10-16-20(12)14(17-11)18-8-6-5-7-9-18;1-9-11-12(21)19(14(2,3)4)8-16-20(11)13(17-9)18-6-10(5-15)7-18;1-8-10-11(20)18(13(2,3)4)7-15-19(10)12(16-8)17-9-5-14-6-9;1-12(2,3)15-8-13-10-7-14(4)6-5-9(10)11(15)16;1-11(2,3)15-10(16)7-4-5-9(12)14-8(7)6-13-15;1-11(2,3)15-9(16)7-5-4-6-13-8(7)14-10(15)12;1-11(2,3)14-10(16)8-5-4-6-9(15)13(8)7-12-14;2*1-6-7-8(16)14(10(2,3)4)5-12-15(7)9(11)13-6;1-10(2,3)15-8(16)7-13(4)5-6-14(7)12-9(15)11;1-6-7-8(16)14(10(2,3)4)5-12-15(7)9(11)13-6;1-6-5-12-15-7(6)8(16)14(9(11)13-15)10(2,3)4/h10H,6-9H2,1-5H3;10H,5-9H2,1-4H3;8,10H,5-7,15H2,1-4H3;7,9,14H,5-6H2,1-4H3,(H,16,17);8H,5-7H2,1-4H3;4-6H,1-3H3,(H2,12,14);4-6H,1-3H3,(H2,12,13,14);4-7H,1-3H3;2*5H,1-4H3;5-6H,1-4H3,(H-,11,12,16);2*5H,1-4H3,(H2,11,13)/p+1
InChIKeyVFLUTUDZRPRRRC-UHFFFAOYSA-O
XLogP11.25
TPSA843.90 Ų
H-Bond Donors8
H-Bond Acceptors73
Rotatable Bonds6
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003228.20
LogP ≤ 511.25
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1073

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-amino-3-tert-butyl-5-methylimidazo[2,1-f][1,2,4]triazin-5-ium-4-one;7-amino-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;2-amino-3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-amino-6-tert-butylpyrido[2,3-d]pyridazin-5-one;2-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-[3-(aminomethyl)azetidin-1-yl]-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;7-(azetidin-3-ylamino)-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;7-bromo-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-7-chloro-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5-methyl-7-(4-methylpiperazin-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methyl-7-piperidin-1-ylimidazo[5,1-f][1,2,4]triazin-4-one;2-tert-butylpyrido[1,2-d][1,2,4]triazine-1,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-tert-butyl-5-methylimidazo[2,1-f][1,2,4]triazin-5-ium-4-one;7-amino-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;2-amino-3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-amino-6-tert-butylpyrido[2,3-d]pyridazin-5-one;2-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-[3-(aminomethyl)azetidin-1-yl]-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;7-(azetidin-3-ylamino)-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;7-bromo-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-7-chloro-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5-methyl-7-(4-methylpiperazin-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methyl-7-piperidin-1-ylimidazo[5,1-f][1,2,4]triazin-4-one;2-tert-butylpyrido[1,2-d][1,2,4]triazine-1,6-dione?
The IUPAC name of 2-amino-3-tert-butyl-5-methylimidazo[2,1-f][1,2,4]triazin-5-ium-4-one;7-amino-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;2-amino-3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-amino-6-tert-butylpyrido[2,3-d]pyridazin-5-one;2-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-[3-(aminomethyl)azetidin-1-yl]-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;7-(azetidin-3-ylamino)-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;7-bromo-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-7-chloro-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5-methyl-7-(4-methylpiperazin-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methyl-7-piperidin-1-ylimidazo[5,1-f][1,2,4]triazin-4-one;2-tert-butylpyrido[1,2-d][1,2,4]triazine-1,6-dione (CID 158353285) is 2-amino-3-tert-butyl-5-methylimidazo[2,1-f][1,2,4]triazin-5-ium-4-one;7-amino-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;2-amino-3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-amino-6-tert-butylpyrido[2,3-d]pyridazin-5-one;2-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-[3-(aminomethyl)azetidin-1-yl]-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;7-(azetidin-3-ylamino)-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;7-bromo-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-7-chloro-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5-methyl-7-(4-methylpiperazin-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methyl-7-piperidin-1-ylimidazo[5,1-f][1,2,4]triazin-4-one;2-tert-butylpyrido[1,2-d][1,2,4]triazine-1,6-dione.
What is the SMILES notation for 2-amino-3-tert-butyl-5-methylimidazo[2,1-f][1,2,4]triazin-5-ium-4-one;7-amino-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;2-amino-3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-amino-6-tert-butylpyrido[2,3-d]pyridazin-5-one;2-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-[3-(aminomethyl)azetidin-1-yl]-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;7-(azetidin-3-ylamino)-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;7-bromo-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-7-chloro-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5-methyl-7-(4-methylpiperazin-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methyl-7-piperidin-1-ylimidazo[5,1-f][1,2,4]triazin-4-one;2-tert-butylpyrido[1,2-d][1,2,4]triazine-1,6-dione?
The canonical SMILES for 2-amino-3-tert-butyl-5-methylimidazo[2,1-f][1,2,4]triazin-5-ium-4-one;7-amino-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;2-amino-3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-amino-6-tert-butylpyrido[2,3-d]pyridazin-5-one;2-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-[3-(aminomethyl)azetidin-1-yl]-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;7-(azetidin-3-ylamino)-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;7-bromo-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-7-chloro-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5-methyl-7-(4-methylpiperazin-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methyl-7-piperidin-1-ylimidazo[5,1-f][1,2,4]triazin-4-one;2-tert-butylpyrido[1,2-d][1,2,4]triazine-1,6-dione is CC(C)(C)n1c(N)nc2ncccc2c1=O.CC(C)(C)n1ncc2nc(N)ccc2c1=O.CC(C)(C)n1ncn2c(=O)cccc2c1=O.CN1CCc2c(ncn(C(C)(C)C)c2=O)C1.C[n+]1ccn2nc(N)n(C(C)(C)C)c(=O)c21.Cc1cnn2nc(N)n(C(C)(C)C)c(=O)c12.Cc1nc(Br)n2ncn(C(C)(C)C)c(=O)c12.Cc1nc(Cl)n2ncn(C(C)(C)C)c(=O)c12.Cc1nc(N)n2ncn(C(C)(C)C)c(=O)c12.Cc1nc(N2CC(CN)C2)n2ncn(C(C)(C)C)c(=O)c12.Cc1nc(N2CCCCC2)n2ncn(C(C)(C)C)c(=O)c12.Cc1nc(N2CCN(C)CC2)n2ncn(C(C)(C)C)c(=O)c12.Cc1nc(NC2CNC2)n2ncn(C(C)(C)C)c(=O)c12.
What is the InChIKey of 2-amino-3-tert-butyl-5-methylimidazo[2,1-f][1,2,4]triazin-5-ium-4-one;7-amino-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;2-amino-3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-amino-6-tert-butylpyrido[2,3-d]pyridazin-5-one;2-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-[3-(aminomethyl)azetidin-1-yl]-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;7-(azetidin-3-ylamino)-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;7-bromo-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-7-chloro-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5-methyl-7-(4-methylpiperazin-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methyl-7-piperidin-1-ylimidazo[5,1-f][1,2,4]triazin-4-one;2-tert-butylpyrido[1,2-d][1,2,4]triazine-1,6-dione?
The InChIKey is VFLUTUDZRPRRRC-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H24N6O.C15H23N5O.C14H22N6O.C13H20N6O.C12H19N3O.2C11H14N4O.C11H13N3O2.C10H13BrN4O.C10H13ClN4O.3C10H15N5O/c1-11-12-13(22)20(15(2,3)4)10-16-21(12)14(17-11)19-8-6-18(5)7-9-19;1-11-12-13(21)19(15(2,3)4)10-16-20(12)14(17-11)18-8-6-5-7-9-18;1-9-11-12(21)19(14(2,3)4)8-16-20(11)13(17-9)18-6-10(5-15)7-18;1-8-10-11(20)18(13(2,3)4)7-15-19(10)12(16-8)17-9-5-14-6-9;1-12(2,3)15-8-13-10-7-14(4)6-5-9(10)11(15)16;1-11(2,3)15-10(16)7-4-5-9(12)14-8(7)6-13-15;1-11(2,3)15-9(16)7-5-4-6-13-8(7)14-10(15)12;1-11(2,3)14-10(16)8-5-4-6-9(15)13(8)7-12-14;2*1-6-7-8(16)14(10(2,3)4)5-12-15(7)9(11)13-6;1-10(2,3)15-8(16)7-13(4)5-6-14(7)12-9(15)11;1-6-7-8(16)14(10(2,3)4)5-12-15(7)9(11)13-6;1-6-5-12-15-7(6)8(16)14(9(11)13-15)10(2,3)4/h10H,6-9H2,1-5H3;10H,5-9H2,1-4H3;8,10H,5-7,15H2,1-4H3;7,9,14H,5-6H2,1-4H3,(H,16,17);8H,5-7H2,1-4H3;4-6H,1-3H3,(H2,12,14);4-6H,1-3H3,(H2,12,13,14);4-7H,1-3H3;2*5H,1-4H3;5-6H,1-4H3,(H-,11,12,16);2*5H,1-4H3,(H2,11,13)/p+1.
What are the key properties of 2-amino-3-tert-butyl-5-methylimidazo[2,1-f][1,2,4]triazin-5-ium-4-one;7-amino-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;2-amino-3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-amino-6-tert-butylpyrido[2,3-d]pyridazin-5-one;2-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-[3-(aminomethyl)azetidin-1-yl]-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;7-(azetidin-3-ylamino)-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;7-bromo-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-7-chloro-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5-methyl-7-(4-methylpiperazin-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methyl-7-piperidin-1-ylimidazo[5,1-f][1,2,4]triazin-4-one;2-tert-butylpyrido[1,2-d][1,2,4]triazine-1,6-dione?
2-amino-3-tert-butyl-5-methylimidazo[2,1-f][1,2,4]triazin-5-ium-4-one;7-amino-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;2-amino-3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-amino-6-tert-butylpyrido[2,3-d]pyridazin-5-one;2-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-[3-(aminomethyl)azetidin-1-yl]-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;7-(azetidin-3-ylamino)-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;7-bromo-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-7-chloro-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5-methyl-7-(4-methylpiperazin-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methyl-7-piperidin-1-ylimidazo[5,1-f][1,2,4]triazin-4-one;2-tert-butylpyrido[1,2-d][1,2,4]triazine-1,6-dione has a molecular weight of 3228.20 g/mol, XLogP of 11.25, 6 rotatable bonds, 8 hydrogen bond donors, and 73 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-tert-butyl-5-methylimidazo[2,1-f][1,2,4]triazin-5-ium-4-one;7-amino-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;2-amino-3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-amino-6-tert-butylpyrido[2,3-d]pyridazin-5-one;2-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;7-[3-(aminomethyl)azetidin-1-yl]-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;7-(azetidin-3-ylamino)-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;7-bromo-3-tert-butyl-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-7-chloro-5-methylimidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5-methyl-7-(4-methylpiperazin-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one;3-tert-butyl-5-methyl-7-piperidin-1-ylimidazo[5,1-f][1,2,4]triazin-4-one;2-tert-butylpyrido[1,2-d][1,2,4]triazine-1,6-dione is sourced from PubChem (CID 158353285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).