6-amino-2-[4-[[5-[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-[(5-hydroxy-2-pyridinyl)methyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-[(1S)-1-phenylethyl]-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-[(1R)-1-phenylethyl]-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-2-methyl-3-methylidene-1,2,4-triazin-5-one

C110H94Cl8N30O14 — CID 158294040

About 6-amino-2-[4-[[5-[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-[(5-hydroxy-2-pyridinyl)methyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-[(1S)-1-phenylethyl]-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-[(1R)-1-phenylethyl]-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-2-methyl-3-methylidene-1,2,4-triazin-5-one

6-amino-2-[4-[[5-[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-[(5-hydroxy-2-pyridinyl)methyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-[(1S)-1-phenylethyl]-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-[(1R)-1-phenylethyl]-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-2-methyl-3-methylidene-1,2,4-triazin-5-one (PubChem CID 158294040) has the molecular formula C110H94Cl8N30O14 and a molecular weight of 2343.78 g/mol. Its IUPAC name is 6-amino-2-[4-[[5-[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-[(5-hydroxy-2-pyridinyl)methyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-[(1S)-1-phenylethyl]-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-[(1R)-1-phenylethyl]-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-2-methyl-3-methylidene-1,2,4-triazin-5-one.

Molecular Properties

• Compound Name: 6-amino-2-[4-[[5-[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-[(5-hydroxy-2-pyridinyl)methyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-[(1S)-1-phenylethyl]-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-[(1R)-1-phenylethyl]-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-2-methyl-3-methylidene-1,2,4-triazin-5-one
• PubChem CID: 158294040
• Molecular Formula: C110H94Cl8N30O14
• Molecular Weight: 2343.78 g/mol
• Exact Mass: 2338.51
• IUPAC Name: 6-amino-2-[4-[[5-[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-[(5-hydroxy-2-pyridinyl)methyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-[(1S)-1-phenylethyl]-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-[(1R)-1-phenylethyl]-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-2-methyl-3-methylidene-1,2,4-triazin-5-one
• SMILES: C=C1NC(=O)C(c2cc(C)c(Cc3ccc4[nH]cc(C(C)C)c4n3)c(C)c2)=NN1C.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(Cc4ccc(O)cn4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc([C@@H](C)c4ccccc4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc([C@H](C)c4ccccc4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc([C@H]4Cc5ccccc54)c(=O)[nH]n3)c(Cl)c2)N=C1N
• InChI: InChI=1S/C24H27N5O.C22H16Cl2N6O3.2C22H18Cl2N6O3.C20H15Cl2N7O4/c1-13(2)20-12-25-21-8-7-18(27-23(20)21)11-19-14(3)9-17(10-15(19)4)22-24(30)26-16(5)29(6)28-22;1-10-20(25)29-30(22(32)26-10)12-7-16(23)19(17(24)8-12)33-18-9-15(21(31)28-27-18)14-6-11-4-2-3-5-13(11)14;2*1-11(13-6-4-3-5-7-13)15-10-18(27-28-21(15)31)33-19-16(23)8-14(9-17(19)24)30-22(32)26-12(2)20(25)29-30;1-9-18(23)28-29(20(32)25-9)12-6-14(21)17(15(22)7-12)33-16-5-10(19(31)27-26-16)4-11-2-3-13(30)8-24-11/h7-10,12-13,25H,5,11H2,1-4,6H3,(H,26,30);2-5,7-9,14H,1,6H2,(H2,25,29)(H,26,32)(H,28,31);2*3-11H,2H2,1H3,(H2,25,29)(H,26,32)(H,28,31);2-3,5-8,30H,1,4H2,(H2,23,28)(H,25,32)(H,27,31)/t;14-;2*11-;/m.010./s1
• InChIKey: GLRQRWACKZNEHW-HUEWJKNVSA-N
• XLogP: 19.55
• TPSA: 609.30 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 30
• Rotatable Bonds: 23
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2343.78
LogP ≤ 5	19.55
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[4-[[5-[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-[(5-hydroxy-2-pyridinyl)methyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-[(1S)-1-phenylethyl]-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-[(1R)-1-phenylethyl]-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-2-methyl-3-methylidene-1,2,4-triazin-5-one?

The IUPAC name of 6-amino-2-[4-[[5-[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-[(5-hydroxy-2-pyridinyl)methyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-[(1S)-1-phenylethyl]-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-[(1R)-1-phenylethyl]-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-2-methyl-3-methylidene-1,2,4-triazin-5-one (CID 158294040) is 6-amino-2-[4-[[5-[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-[(5-hydroxy-2-pyridinyl)methyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-[(1S)-1-phenylethyl]-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-[(1R)-1-phenylethyl]-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-2-methyl-3-methylidene-1,2,4-triazin-5-one.

What is the SMILES notation for 6-amino-2-[4-[[5-[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-[(5-hydroxy-2-pyridinyl)methyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-[(1S)-1-phenylethyl]-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-[(1R)-1-phenylethyl]-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-2-methyl-3-methylidene-1,2,4-triazin-5-one?

The canonical SMILES for 6-amino-2-[4-[[5-[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-[(5-hydroxy-2-pyridinyl)methyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-[(1S)-1-phenylethyl]-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-[(1R)-1-phenylethyl]-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-2-methyl-3-methylidene-1,2,4-triazin-5-one is C=C1NC(=O)C(c2cc(C)c(Cc3ccc4[nH]cc(C(C)C)c4n3)c(C)c2)=NN1C.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(Cc4ccc(O)cn4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc([C@@H](C)c4ccccc4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc([C@H](C)c4ccccc4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc([C@H]4Cc5ccccc54)c(=O)[nH]n3)c(Cl)c2)N=C1N.

What is the InChIKey of 6-amino-2-[4-[[5-[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-[(5-hydroxy-2-pyridinyl)methyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-[(1S)-1-phenylethyl]-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-[(1R)-1-phenylethyl]-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-2-methyl-3-methylidene-1,2,4-triazin-5-one?

The InChIKey is GLRQRWACKZNEHW-HUEWJKNVSA-N. The full InChI is InChI=1S/C24H27N5O.C22H16Cl2N6O3.2C22H18Cl2N6O3.C20H15Cl2N7O4/c1-13(2)20-12-25-21-8-7-18(27-23(20)21)11-19-14(3)9-17(10-15(19)4)22-24(30)26-16(5)29(6)28-22;1-10-20(25)29-30(22(32)26-10)12-7-16(23)19(17(24)8-12)33-18-9-15(21(31)28-27-18)14-6-11-4-2-3-5-13(11)14;2*1-11(13-6-4-3-5-7-13)15-10-18(27-28-21(15)31)33-19-16(23)8-14(9-17(19)24)30-22(32)26-12(2)20(25)29-30;1-9-18(23)28-29(20(32)25-9)12-6-14(21)17(15(22)7-12)33-16-5-10(19(31)27-26-16)4-11-2-3-13(30)8-24-11/h7-10,12-13,25H,5,11H2,1-4,6H3,(H,26,30);2-5,7-9,14H,1,6H2,(H2,25,29)(H,26,32)(H,28,31);2*3-11H,2H2,1H3,(H2,25,29)(H,26,32)(H,28,31);2-3,5-8,30H,1,4H2,(H2,23,28)(H,25,32)(H,27,31)/t;14-;2*11-;/m.010./s1.

What are the key properties of 6-amino-2-[4-[[5-[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-[(5-hydroxy-2-pyridinyl)methyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-[(1S)-1-phenylethyl]-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-[(1R)-1-phenylethyl]-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-2-methyl-3-methylidene-1,2,4-triazin-5-one?

6-amino-2-[4-[[5-[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-[(5-hydroxy-2-pyridinyl)methyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-[(1S)-1-phenylethyl]-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-[(1R)-1-phenylethyl]-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-2-methyl-3-methylidene-1,2,4-triazin-5-one has a molecular weight of 2343.78 g/mol, XLogP of 19.55, 23 rotatable bonds, 15 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-[4-[[5-[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-[(5-hydroxy-2-pyridinyl)methyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-[(1S)-1-phenylethyl]-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-[(1R)-1-phenylethyl]-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-2-methyl-3-methylidene-1,2,4-triazin-5-one is sourced from PubChem (CID 158294040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).