6-amino-2-[3,5-dichloro-4-[[5-(1-cyclopropylethyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-[(1S)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2S)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2R)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-3-methylidene-2H-1,2,4-triazin-5-one

C100H100Cl8N26O16 — CID 159891753

About 6-amino-2-[3,5-dichloro-4-[[5-(1-cyclopropylethyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-[(1S)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2S)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2R)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-3-methylidene-2H-1,2,4-triazin-5-one

6-amino-2-[3,5-dichloro-4-[[5-(1-cyclopropylethyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-[(1S)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2S)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2R)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-3-methylidene-2H-1,2,4-triazin-5-one (PubChem CID 159891753) has the molecular formula C100H100Cl8N26O16 and a molecular weight of 2205.69 g/mol. Its IUPAC name is 6-amino-2-[3,5-dichloro-4-[[5-(1-cyclopropylethyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-[(1S)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2S)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2R)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-3-methylidene-2H-1,2,4-triazin-5-one.

Molecular Properties

• Compound Name: 6-amino-2-[3,5-dichloro-4-[[5-(1-cyclopropylethyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-[(1S)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2S)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2R)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-3-methylidene-2H-1,2,4-triazin-5-one
• PubChem CID: 159891753
• Molecular Formula: C100H100Cl8N26O16
• Molecular Weight: 2205.69 g/mol
• Exact Mass: 2200.53
• IUPAC Name: 6-amino-2-[3,5-dichloro-4-[[5-(1-cyclopropylethyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-[(1S)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2S)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2R)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-3-methylidene-2H-1,2,4-triazin-5-one
• SMILES: C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C4CC4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NN=C(c2cc(C)c(Cc3ccc4[nH]cc(C(C)C)c4n3)c(C)c2)C(=O)N1.Cc1nn(-c2cc(Cl)c(Oc3cc([C@@H](C)C(C)C)c(=O)[nH]n3)c(Cl)c2)c(=O)[nH]c1=O.Cc1nn(-c2cc(Cl)c(Oc3cc([C@@H](C)C4CCC4)c(=O)[nH]n3)c(Cl)c2)c(=O)[nH]c1=O.Cc1nn(-c2cc(Cl)c(Oc3cc([C@H](C)C(C)C)c(=O)[nH]n3)c(Cl)c2)c(=O)[nH]c1=O
• InChI: InChI=1S/C23H25N5O.C20H19Cl2N5O4.C19H18Cl2N6O3.2C19H19Cl2N5O4/c1-12(2)19-11-24-20-7-6-17(26-22(19)20)10-18-13(3)8-16(9-14(18)4)21-23(29)25-15(5)27-28-21;1-9(11-4-3-5-11)13-8-16(24-25-19(13)29)31-17-14(21)6-12(7-15(17)22)27-20(30)23-18(28)10(2)26-27;1-8(10-3-4-10)12-7-15(24-25-18(12)28)30-16-13(20)5-11(6-14(16)21)27-19(29)23-9(2)17(22)26-27;2*1-8(2)9(3)12-7-15(23-24-18(12)28)30-16-13(20)5-11(6-14(16)21)26-19(29)22-17(27)10(4)25-26/h6-9,11-12,24,27H,5,10H2,1-4H3,(H,25,29);6-9,11H,3-5H2,1-2H3,(H,25,29)(H,23,28,30);5-8,10H,2-4H2,1H3,(H2,22,26)(H,23,29)(H,25,28);2*5-9H,1-4H3,(H,24,28)(H,22,27,29)/t;9-;;2*9-/m.0.10/s1
• InChIKey: NUVMBWPKSWGLHM-KCYDAYETSA-N
• XLogP: 17.14
• TPSA: 576.06 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 31
• Rotatable Bonds: 24
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2205.69
LogP ≤ 5	17.14
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[3,5-dichloro-4-[[5-(1-cyclopropylethyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-[(1S)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2S)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2R)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-3-methylidene-2H-1,2,4-triazin-5-one?

The IUPAC name of 6-amino-2-[3,5-dichloro-4-[[5-(1-cyclopropylethyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-[(1S)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2S)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2R)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-3-methylidene-2H-1,2,4-triazin-5-one (CID 159891753) is 6-amino-2-[3,5-dichloro-4-[[5-(1-cyclopropylethyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-[(1S)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2S)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2R)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-3-methylidene-2H-1,2,4-triazin-5-one.

What is the SMILES notation for 6-amino-2-[3,5-dichloro-4-[[5-(1-cyclopropylethyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-[(1S)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2S)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2R)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-3-methylidene-2H-1,2,4-triazin-5-one?

The canonical SMILES for 6-amino-2-[3,5-dichloro-4-[[5-(1-cyclopropylethyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-[(1S)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2S)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2R)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-3-methylidene-2H-1,2,4-triazin-5-one is C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C4CC4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NN=C(c2cc(C)c(Cc3ccc4[nH]cc(C(C)C)c4n3)c(C)c2)C(=O)N1.Cc1nn(-c2cc(Cl)c(Oc3cc([C@@H](C)C(C)C)c(=O)[nH]n3)c(Cl)c2)c(=O)[nH]c1=O.Cc1nn(-c2cc(Cl)c(Oc3cc([C@@H](C)C4CCC4)c(=O)[nH]n3)c(Cl)c2)c(=O)[nH]c1=O.Cc1nn(-c2cc(Cl)c(Oc3cc([C@H](C)C(C)C)c(=O)[nH]n3)c(Cl)c2)c(=O)[nH]c1=O.

What is the InChIKey of 6-amino-2-[3,5-dichloro-4-[[5-(1-cyclopropylethyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-[(1S)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2S)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2R)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-3-methylidene-2H-1,2,4-triazin-5-one?

The InChIKey is NUVMBWPKSWGLHM-KCYDAYETSA-N. The full InChI is InChI=1S/C23H25N5O.C20H19Cl2N5O4.C19H18Cl2N6O3.2C19H19Cl2N5O4/c1-12(2)19-11-24-20-7-6-17(26-22(19)20)10-18-13(3)8-16(9-14(18)4)21-23(29)25-15(5)27-28-21;1-9(11-4-3-5-11)13-8-16(24-25-19(13)29)31-17-14(21)6-12(7-15(17)22)27-20(30)23-18(28)10(2)26-27;1-8(10-3-4-10)12-7-15(24-25-18(12)28)30-16-13(20)5-11(6-14(16)21)27-19(29)23-9(2)17(22)26-27;2*1-8(2)9(3)12-7-15(23-24-18(12)28)30-16-13(20)5-11(6-14(16)21)26-19(29)22-17(27)10(4)25-26/h6-9,11-12,24,27H,5,10H2,1-4H3,(H,25,29);6-9,11H,3-5H2,1-2H3,(H,25,29)(H,23,28,30);5-8,10H,2-4H2,1H3,(H2,22,26)(H,23,29)(H,25,28);2*5-9H,1-4H3,(H,24,28)(H,22,27,29)/t;9-;;2*9-/m.0.10/s1.

What are the key properties of 6-amino-2-[3,5-dichloro-4-[[5-(1-cyclopropylethyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-[(1S)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2S)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2R)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-3-methylidene-2H-1,2,4-triazin-5-one?

6-amino-2-[3,5-dichloro-4-[[5-(1-cyclopropylethyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-[(1S)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2S)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2R)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-3-methylidene-2H-1,2,4-triazin-5-one has a molecular weight of 2205.69 g/mol, XLogP of 17.14, 24 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-[3,5-dichloro-4-[[5-(1-cyclopropylethyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-[(1S)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2S)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2R)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-3-methylidene-2H-1,2,4-triazin-5-one is sourced from PubChem (CID 159891753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).