2-[3,5-dichloro-4-[1-(hydroxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(methoxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methoxyphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-6-(trifluoromethyl)-1,2,4-triazin-3-one;ethyl 2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylate

C112H86Cl12F3N33O25 — CID 167690396

IUPAC2-[3,5-dichloro-4-[1-(hydroxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(methoxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methoxyphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-6-(trifluoromethyl)-1,2,4-triazin-3-one;ethyl 2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylate
SMILESC=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(C(C)C)n3)c(Cl)c2)N=C1C(=O)O.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(C(C)C)n3)c(Cl)c2)N=C1C(=O)OCC.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(C(C)C)n3)c(Cl)c2)N=C1C(F)(F)F.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(CO)n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(COC)n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(Cc4ccc(OC)cc4)n3)c(Cl)c2)N=C1C#N
InChIInChI=1S/C23H16Cl2N6O4.C20H19Cl2N5O5.C18H14Cl2F3N5O3.C18H15Cl2N5O5.C17H12Cl2N6O4.C16H10Cl2N6O4/c1-13-19(11-26)28-31(23(33)27-13)15-9-17(24)22(18(25)10-15)35-20-7-8-21(32)30(29-20)12-14-3-5-16(34-2)6-4-14;1-5-31-19(29)17-11(4)23-20(30)27(25-17)12-8-13(21)18(14(22)9-12)32-15-6-7-16(28)26(24-15)10(2)3;1-8(2)27-14(29)5-4-13(25-27)31-15-11(19)6-10(7-12(15)20)28-17(30)24-9(3)16(26-28)18(21,22)23;1-8(2)24-14(26)5-4-13(22-24)30-16-11(19)6-10(7-12(16)20)25-18(29)21-9(3)15(23-25)17(27)28;1-9-13(7-20)22-25(17(27)21-9)10-5-11(18)16(12(19)6-10)29-14-3-4-15(26)24(23-14)8-28-2;1-8-12(6-19)21-24(16(27)20-8)9-4-10(17)15(11(18)5-9)28-13-2-3-14(26)23(7-25)22-13/h3-10H,1,12H2,2H3,(H,27,33);6-10H,4-5H2,1-3H3,(H,23,30);4-8H,3H2,1-2H3,(H,24,30);4-8H,3H2,1-2H3,(H,21,29)(H,27,28);3-6H,1,8H2,2H3,(H,21,27);2-5,25H,1,7H2,(H,20,27)
InChIKeyWVRHVLUKGLHIKN-UHFFFAOYSA-N
MW2776.56 g/mol
LogP21.58
Rot. Bonds30

About 2-[3,5-dichloro-4-[1-(hydroxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(methoxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methoxyphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-6-(trifluoromethyl)-1,2,4-triazin-3-one;ethyl 2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylate

2-[3,5-dichloro-4-[1-(hydroxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(methoxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methoxyphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-6-(trifluoromethyl)-1,2,4-triazin-3-one;ethyl 2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylate (PubChem CID 167690396) has the molecular formula C112H86Cl12F3N33O25 and a molecular weight of 2776.56 g/mol. Its IUPAC name is 2-[3,5-dichloro-4-[1-(hydroxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(methoxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methoxyphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-6-(trifluoromethyl)-1,2,4-triazin-3-one;ethyl 2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylate.

Molecular Properties

Compound Name2-[3,5-dichloro-4-[1-(hydroxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(methoxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methoxyphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-6-(trifluoromethyl)-1,2,4-triazin-3-one;ethyl 2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylate
PubChem CID167690396
Molecular FormulaC112H86Cl12F3N33O25
Molecular Weight2776.56 g/mol
Exact Mass2769.27
IUPAC Name2-[3,5-dichloro-4-[1-(hydroxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(methoxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methoxyphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-6-(trifluoromethyl)-1,2,4-triazin-3-one;ethyl 2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylate
SMILESC=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(C(C)C)n3)c(Cl)c2)N=C1C(=O)O.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(C(C)C)n3)c(Cl)c2)N=C1C(=O)OCC.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(C(C)C)n3)c(Cl)c2)N=C1C(F)(F)F.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(CO)n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(COC)n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(Cc4ccc(OC)cc4)n3)c(Cl)c2)N=C1C#N
InChIInChI=1S/C23H16Cl2N6O4.C20H19Cl2N5O5.C18H14Cl2F3N5O3.C18H15Cl2N5O5.C17H12Cl2N6O4.C16H10Cl2N6O4/c1-13-19(11-26)28-31(23(33)27-13)15-9-17(24)22(18(25)10-15)35-20-7-8-21(32)30(29-20)12-14-3-5-16(34-2)6-4-14;1-5-31-19(29)17-11(4)23-20(30)27(25-17)12-8-13(21)18(14(22)9-12)32-15-6-7-16(28)26(24-15)10(2)3;1-8(2)27-14(29)5-4-13(25-27)31-15-11(19)6-10(7-12(15)20)28-17(30)24-9(3)16(26-28)18(21,22)23;1-8(2)24-14(26)5-4-13(22-24)30-16-11(19)6-10(7-12(16)20)25-18(29)21-9(3)15(23-25)17(27)28;1-9-13(7-20)22-25(17(27)21-9)10-5-11(18)16(12(19)6-10)29-14-3-4-15(26)24(23-14)8-28-2;1-8-12(6-19)21-24(16(27)20-8)9-4-10(17)15(11(18)5-9)28-13-2-3-14(26)23(7-25)22-13/h3-10H,1,12H2,2H3,(H,27,33);6-10H,4-5H2,1-3H3,(H,23,30);4-8H,3H2,1-2H3,(H,24,30);4-8H,3H2,1-2H3,(H,21,29)(H,27,28);3-6H,1,8H2,2H3,(H,21,27);2-5,25H,1,7H2,(H,20,27)
InChIKeyWVRHVLUKGLHIKN-UHFFFAOYSA-N
XLogP21.58
TPSA706.58 Ų
H-Bond Donors8
H-Bond Acceptors45
Rotatable Bonds30
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002776.56
LogP ≤ 521.58
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1045

Analyze 2-[3,5-dichloro-4-[1-(hydroxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(methoxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methoxyphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-6-(trifluoromethyl)-1,2,4-triazin-3-one;ethyl 2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-4-[1-(hydroxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(methoxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methoxyphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-6-(trifluoromethyl)-1,2,4-triazin-3-one;ethyl 2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylate?
The IUPAC name of 2-[3,5-dichloro-4-[1-(hydroxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(methoxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methoxyphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-6-(trifluoromethyl)-1,2,4-triazin-3-one;ethyl 2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylate (CID 167690396) is 2-[3,5-dichloro-4-[1-(hydroxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(methoxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methoxyphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-6-(trifluoromethyl)-1,2,4-triazin-3-one;ethyl 2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylate.
What is the SMILES notation for 2-[3,5-dichloro-4-[1-(hydroxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(methoxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methoxyphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-6-(trifluoromethyl)-1,2,4-triazin-3-one;ethyl 2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylate?
The canonical SMILES for 2-[3,5-dichloro-4-[1-(hydroxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(methoxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methoxyphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-6-(trifluoromethyl)-1,2,4-triazin-3-one;ethyl 2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylate is C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(C(C)C)n3)c(Cl)c2)N=C1C(=O)O.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(C(C)C)n3)c(Cl)c2)N=C1C(=O)OCC.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(C(C)C)n3)c(Cl)c2)N=C1C(F)(F)F.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(CO)n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(COC)n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(Cc4ccc(OC)cc4)n3)c(Cl)c2)N=C1C#N.
What is the InChIKey of 2-[3,5-dichloro-4-[1-(hydroxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(methoxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methoxyphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-6-(trifluoromethyl)-1,2,4-triazin-3-one;ethyl 2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylate?
The InChIKey is WVRHVLUKGLHIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N6O4.C20H19Cl2N5O5.C18H14Cl2F3N5O3.C18H15Cl2N5O5.C17H12Cl2N6O4.C16H10Cl2N6O4/c1-13-19(11-26)28-31(23(33)27-13)15-9-17(24)22(18(25)10-15)35-20-7-8-21(32)30(29-20)12-14-3-5-16(34-2)6-4-14;1-5-31-19(29)17-11(4)23-20(30)27(25-17)12-8-13(21)18(14(22)9-12)32-15-6-7-16(28)26(24-15)10(2)3;1-8(2)27-14(29)5-4-13(25-27)31-15-11(19)6-10(7-12(15)20)28-17(30)24-9(3)16(26-28)18(21,22)23;1-8(2)24-14(26)5-4-13(22-24)30-16-11(19)6-10(7-12(16)20)25-18(29)21-9(3)15(23-25)17(27)28;1-9-13(7-20)22-25(17(27)21-9)10-5-11(18)16(12(19)6-10)29-14-3-4-15(26)24(23-14)8-28-2;1-8-12(6-19)21-24(16(27)20-8)9-4-10(17)15(11(18)5-9)28-13-2-3-14(26)23(7-25)22-13/h3-10H,1,12H2,2H3,(H,27,33);6-10H,4-5H2,1-3H3,(H,23,30);4-8H,3H2,1-2H3,(H,24,30);4-8H,3H2,1-2H3,(H,21,29)(H,27,28);3-6H,1,8H2,2H3,(H,21,27);2-5,25H,1,7H2,(H,20,27).
What are the key properties of 2-[3,5-dichloro-4-[1-(hydroxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(methoxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methoxyphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-6-(trifluoromethyl)-1,2,4-triazin-3-one;ethyl 2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylate?
2-[3,5-dichloro-4-[1-(hydroxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(methoxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methoxyphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-6-(trifluoromethyl)-1,2,4-triazin-3-one;ethyl 2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylate has a molecular weight of 2776.56 g/mol, XLogP of 21.58, 30 rotatable bonds, 8 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-4-[1-(hydroxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(methoxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methoxyphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-6-(trifluoromethyl)-1,2,4-triazin-3-one;ethyl 2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylate is sourced from PubChem (CID 167690396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).