2-[3,5-dichloro-4-(1-cyclopropyl-6-oxopyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-fluorophenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-[(1S)-1-phenylethyl]pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-[(1R)-1-phenylethyl]pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(pyridin-4-ylmethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile

C107H70Cl10FN31O15 — CID 167661330

About 2-[3,5-dichloro-4-(1-cyclopropyl-6-oxopyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-fluorophenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-[(1S)-1-phenylethyl]pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-[(1R)-1-phenylethyl]pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(pyridin-4-ylmethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile

2-[3,5-dichloro-4-(1-cyclopropyl-6-oxopyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-fluorophenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-[(1S)-1-phenylethyl]pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-[(1R)-1-phenylethyl]pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(pyridin-4-ylmethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile (PubChem CID 167661330) has the molecular formula C107H70Cl10FN31O15 and a molecular weight of 2403.47 g/mol. Its IUPAC name is 2-[3,5-dichloro-4-(1-cyclopropyl-6-oxopyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-fluorophenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-[(1S)-1-phenylethyl]pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-[(1R)-1-phenylethyl]pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(pyridin-4-ylmethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile.

Molecular Properties

• Compound Name: 2-[3,5-dichloro-4-(1-cyclopropyl-6-oxopyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-fluorophenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-[(1S)-1-phenylethyl]pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-[(1R)-1-phenylethyl]pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(pyridin-4-ylmethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile
• PubChem CID: 167661330
• Molecular Formula: C107H70Cl10FN31O15
• Molecular Weight: 2403.47 g/mol
• Exact Mass: 2397.25
• IUPAC Name: 2-[3,5-dichloro-4-(1-cyclopropyl-6-oxopyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-fluorophenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-[(1S)-1-phenylethyl]pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-[(1R)-1-phenylethyl]pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(pyridin-4-ylmethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile
• SMILES: C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(C4CC4)n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(Cc4ccc(F)cc4)n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(Cc4ccncc4)n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n([C@@H](C)c4ccccc4)n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n([C@H](C)c4ccccc4)n3)c(Cl)c2)N=C1C#N
• InChI: InChI=1S/2C23H16Cl2N6O3.C22H13Cl2FN6O3.C21H13Cl2N7O3.C18H12Cl2N6O3/c2*1-13-19(12-26)28-31(23(33)27-13)16-10-17(24)22(18(25)11-16)34-20-8-9-21(32)30(29-20)14(2)15-6-4-3-5-7-15;1-12-18(10-26)28-31(22(33)27-12)15-8-16(23)21(17(24)9-15)34-19-6-7-20(32)30(29-19)11-13-2-4-14(25)5-3-13;1-12-17(10-24)27-30(21(32)26-12)14-8-15(22)20(16(23)9-14)33-18-2-3-19(31)29(28-18)11-13-4-6-25-7-5-13;1-9-14(8-21)23-26(18(28)22-9)11-6-12(19)17(13(20)7-11)29-15-4-5-16(27)25(24-15)10-2-3-10/h2*3-11,14H,1H2,2H3,(H,27,33);2-9H,1,11H2,(H,27,33);2-9H,1,11H2,(H,26,32);4-7,10H,1-3H2,(H,22,28)/t2*14-;;;/m10.../s1
• InChIKey: RZQSIWUFDNARSM-UQEZSFNJSA-N
• XLogP: 21.51
• TPSA: 575.94 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 24
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2403.47
LogP ≤ 5	21.51
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-4-(1-cyclopropyl-6-oxopyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-fluorophenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-[(1S)-1-phenylethyl]pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-[(1R)-1-phenylethyl]pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(pyridin-4-ylmethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

The IUPAC name of 2-[3,5-dichloro-4-(1-cyclopropyl-6-oxopyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-fluorophenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-[(1S)-1-phenylethyl]pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-[(1R)-1-phenylethyl]pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(pyridin-4-ylmethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile (CID 167661330) is 2-[3,5-dichloro-4-(1-cyclopropyl-6-oxopyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-fluorophenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-[(1S)-1-phenylethyl]pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-[(1R)-1-phenylethyl]pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(pyridin-4-ylmethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile.

What is the SMILES notation for 2-[3,5-dichloro-4-(1-cyclopropyl-6-oxopyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-fluorophenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-[(1S)-1-phenylethyl]pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-[(1R)-1-phenylethyl]pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(pyridin-4-ylmethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

The canonical SMILES for 2-[3,5-dichloro-4-(1-cyclopropyl-6-oxopyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-fluorophenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-[(1S)-1-phenylethyl]pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-[(1R)-1-phenylethyl]pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(pyridin-4-ylmethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile is C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(C4CC4)n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(Cc4ccc(F)cc4)n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(Cc4ccncc4)n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n([C@@H](C)c4ccccc4)n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n([C@H](C)c4ccccc4)n3)c(Cl)c2)N=C1C#N.

What is the InChIKey of 2-[3,5-dichloro-4-(1-cyclopropyl-6-oxopyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-fluorophenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-[(1S)-1-phenylethyl]pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-[(1R)-1-phenylethyl]pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(pyridin-4-ylmethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

The InChIKey is RZQSIWUFDNARSM-UQEZSFNJSA-N. The full InChI is InChI=1S/2C23H16Cl2N6O3.C22H13Cl2FN6O3.C21H13Cl2N7O3.C18H12Cl2N6O3/c2*1-13-19(12-26)28-31(23(33)27-13)16-10-17(24)22(18(25)11-16)34-20-8-9-21(32)30(29-20)14(2)15-6-4-3-5-7-15;1-12-18(10-26)28-31(22(33)27-12)15-8-16(23)21(17(24)9-15)34-19-6-7-20(32)30(29-19)11-13-2-4-14(25)5-3-13;1-12-17(10-24)27-30(21(32)26-12)14-8-15(22)20(16(23)9-14)33-18-2-3-19(31)29(28-18)11-13-4-6-25-7-5-13;1-9-14(8-21)23-26(18(28)22-9)11-6-12(19)17(13(20)7-11)29-15-4-5-16(27)25(24-15)10-2-3-10/h2*3-11,14H,1H2,2H3,(H,27,33);2-9H,1,11H2,(H,27,33);2-9H,1,11H2,(H,26,32);4-7,10H,1-3H2,(H,22,28)/t2*14-;;;/m10.../s1.

What are the key properties of 2-[3,5-dichloro-4-(1-cyclopropyl-6-oxopyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-fluorophenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-[(1S)-1-phenylethyl]pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-[(1R)-1-phenylethyl]pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(pyridin-4-ylmethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

2-[3,5-dichloro-4-(1-cyclopropyl-6-oxopyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-fluorophenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-[(1S)-1-phenylethyl]pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-[(1R)-1-phenylethyl]pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(pyridin-4-ylmethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile has a molecular weight of 2403.47 g/mol, XLogP of 21.51, 24 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-dichloro-4-(1-cyclopropyl-6-oxopyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-fluorophenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-[(1S)-1-phenylethyl]pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-[(1R)-1-phenylethyl]pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(pyridin-4-ylmethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile is sourced from PubChem (CID 167661330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).