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-[1-[(4-methylphenyl)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-3-ylmethyl)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

C133H87Cl12FN38O18 — CID 167705199

IUPAC2-[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-[1-[(4-methylphenyl)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-3-ylmethyl)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
SMILESC=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(Cc4ccc(C)cc4)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(Cc4cccnc4)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
InChIInChI=1S/3C23H16Cl2N6O3.C22H13Cl2FN6O3.2C21H13Cl2N7O3/c1-13-3-5-15(6-4-13)12-30-21(32)8-7-20(29-30)34-22-17(24)9-16(10-18(22)25)31-23(33)27-14(2)19(11-26)28-31;2*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;1-12-17(9-24)27-30(21(32)26-12)14-7-15(22)20(16(23)8-14)33-18-4-5-19(31)29(28-18)11-13-3-2-6-25-10-13/h3-10H,2,12H2,1H3,(H,27,33);2*3-11,14H,1H2,2H3,(H,27,33);2-9H,1,11H2,(H,27,33);2-9H,1,11H2,(H,26,32);2-8,10H,1,11H2,(H,26,32)/t;2*14-;;;/m.10.../s1
InChIKeyYZRTVJXFYDBOQJ-OKGIGZRJSA-N
MW2949.84 g/mol
LogP26.24
Rot. Bonds30

About 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-[1-[(4-methylphenyl)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-3-ylmethyl)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-[(4-fluorophenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methylphenyl)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-3-ylmethyl)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 167705199) has the molecular formula C133H87Cl12FN38O18 and a molecular weight of 2949.84 g/mol. Its IUPAC name is 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-[1-[(4-methylphenyl)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-3-ylmethyl)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 Name2-[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-[1-[(4-methylphenyl)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-3-ylmethyl)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 CID167705199
Molecular FormulaC133H87Cl12FN38O18
Molecular Weight2949.84 g/mol
Exact Mass2942.33
IUPAC Name2-[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-[1-[(4-methylphenyl)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-3-ylmethyl)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
SMILESC=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(Cc4ccc(C)cc4)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(Cc4cccnc4)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
InChIInChI=1S/3C23H16Cl2N6O3.C22H13Cl2FN6O3.2C21H13Cl2N7O3/c1-13-3-5-15(6-4-13)12-30-21(32)8-7-20(29-30)34-22-17(24)9-16(10-18(22)25)31-23(33)27-14(2)19(11-26)28-31;2*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;1-12-17(9-24)27-30(21(32)26-12)14-7-15(22)20(16(23)8-14)33-18-4-5-19(31)29(28-18)11-13-3-2-6-25-10-13/h3-10H,2,12H2,1H3,(H,27,33);2*3-11,14H,1H2,2H3,(H,27,33);2-9H,1,11H2,(H,27,33);2-9H,1,11H2,(H,26,32);2-8,10H,1,11H2,(H,26,32)/t;2*14-;;;/m.10.../s1
InChIKeyYZRTVJXFYDBOQJ-OKGIGZRJSA-N
XLogP26.24
TPSA701.44 Ų
H-Bond Donors6
H-Bond Acceptors44
Rotatable Bonds30
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002949.84
LogP ≤ 526.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1044

Analyze 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-[1-[(4-methylphenyl)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-3-ylmethyl)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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-[1-[(4-methylphenyl)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-3-ylmethyl)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-[(4-fluorophenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methylphenyl)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-3-ylmethyl)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 167705199) is 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-[1-[(4-methylphenyl)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-3-ylmethyl)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-[(4-fluorophenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methylphenyl)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-3-ylmethyl)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-[(4-fluorophenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methylphenyl)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-3-ylmethyl)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(Cc4ccc(C)cc4)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(Cc4cccnc4)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-[(4-fluorophenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methylphenyl)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-3-ylmethyl)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 YZRTVJXFYDBOQJ-OKGIGZRJSA-N. The full InChI is InChI=1S/3C23H16Cl2N6O3.C22H13Cl2FN6O3.2C21H13Cl2N7O3/c1-13-3-5-15(6-4-13)12-30-21(32)8-7-20(29-30)34-22-17(24)9-16(10-18(22)25)31-23(33)27-14(2)19(11-26)28-31;2*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;1-12-17(9-24)27-30(21(32)26-12)14-7-15(22)20(16(23)8-14)33-18-4-5-19(31)29(28-18)11-13-3-2-6-25-10-13/h3-10H,2,12H2,1H3,(H,27,33);2*3-11,14H,1H2,2H3,(H,27,33);2-9H,1,11H2,(H,27,33);2-9H,1,11H2,(H,26,32);2-8,10H,1,11H2,(H,26,32)/t;2*14-;;;/m.10.../s1.
What are the key properties of 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-[1-[(4-methylphenyl)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-3-ylmethyl)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-[(4-fluorophenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methylphenyl)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-3-ylmethyl)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 2949.84 g/mol, XLogP of 26.24, 30 rotatable bonds, 6 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 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-[1-[(4-methylphenyl)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-3-ylmethyl)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 167705199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).