2-[[3-(5-amino-1,2,4-oxadiazol-3-yl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;2-[[3-(5-chloro-1,2,4-oxadiazol-3-yl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;chloro(trimethyl)silane;diethylcyanamide;N,N-diethylethanamine;6-(3,5-difluorophenyl)-2-[[3-[5-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide;2-piperazin-1-ylethanol

C101H110Cl2F8N24O10Si — CID 172953524

IUPAC2-[[3-(5-amino-1,2,4-oxadiazol-3-yl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;2-[[3-(5-chloro-1,2,4-oxadiazol-3-yl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;chloro(trimethyl)silane;diethylcyanamide;N,N-diethylethanamine;6-(3,5-difluorophenyl)-2-[[3-[5-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide;2-piperazin-1-ylethanol
SMILESCCN(C#N)CC.CCN(CC)CC.C[Si](C)(C)Cl.N/C(=N\O)c1cccc(Cn2nc(-c3cc(F)cc(F)c3)ccc2=O)c1.Nc1nc(-c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)no1.O=c1ccc(-c2cc(F)cc(F)c2)nn1Cc1cccc(-c2noc(Cl)n2)c1.O=c1ccc(-c2cc(F)cc(F)c2)nn1Cc1cccc(-c2noc(N3CCN(CCO)CC3)n2)c1.OCCN1CCNCC1
InChIInChI=1S/C25H24F2N6O3.C19H11ClF2N4O2.C19H13F2N5O2.C18H14F2N4O2.C6H14N2O.C6H15N.C5H10N2.C3H9ClSi/c26-20-13-19(14-21(27)15-20)22-4-5-23(35)33(29-22)16-17-2-1-3-18(12-17)24-28-25(36-30-24)32-8-6-31(7-9-32)10-11-34;20-19-23-18(25-28-19)12-3-1-2-11(6-12)10-26-17(27)5-4-16(24-26)13-7-14(21)9-15(22)8-13;20-14-7-13(8-15(21)9-14)16-4-5-17(27)26(24-16)10-11-2-1-3-12(6-11)18-23-19(22)28-25-18;19-14-7-13(8-15(20)9-14)16-4-5-17(25)24(22-16)10-11-2-1-3-12(6-11)18(21)23-26;9-6-5-8-3-1-7-2-4-8;1-4-7(5-2)6-3;1-3-7(4-2)5-6;1-5(2,3)4/h1-5,12-15,34H,6-11,16H2;1-9H,10H2;1-9H,10H2,(H2,22,23,25);1-9,26H,10H2,(H2,21,23);7,9H,1-6H2;4-6H2,1-3H3;3-4H2,1-2H3;1-3H3
InChIKeyMZZFEOSTLKMCCA-UHFFFAOYSA-N
MW2071.12 g/mol
LogP14.64
Rot. Bonds26

About 2-[[3-(5-amino-1,2,4-oxadiazol-3-yl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;2-[[3-(5-chloro-1,2,4-oxadiazol-3-yl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;chloro(trimethyl)silane;diethylcyanamide;N,N-diethylethanamine;6-(3,5-difluorophenyl)-2-[[3-[5-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide;2-piperazin-1-ylethanol

2-[[3-(5-amino-1,2,4-oxadiazol-3-yl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;2-[[3-(5-chloro-1,2,4-oxadiazol-3-yl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;chloro(trimethyl)silane;diethylcyanamide;N,N-diethylethanamine;6-(3,5-difluorophenyl)-2-[[3-[5-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide;2-piperazin-1-ylethanol (PubChem CID 172953524) has the molecular formula C101H110Cl2F8N24O10Si and a molecular weight of 2071.12 g/mol. Its IUPAC name is 2-[[3-(5-amino-1,2,4-oxadiazol-3-yl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;2-[[3-(5-chloro-1,2,4-oxadiazol-3-yl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;chloro(trimethyl)silane;diethylcyanamide;N,N-diethylethanamine;6-(3,5-difluorophenyl)-2-[[3-[5-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide;2-piperazin-1-ylethanol.

Molecular Properties

Compound Name2-[[3-(5-amino-1,2,4-oxadiazol-3-yl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;2-[[3-(5-chloro-1,2,4-oxadiazol-3-yl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;chloro(trimethyl)silane;diethylcyanamide;N,N-diethylethanamine;6-(3,5-difluorophenyl)-2-[[3-[5-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide;2-piperazin-1-ylethanol
PubChem CID172953524
Molecular FormulaC101H110Cl2F8N24O10Si
Molecular Weight2071.12 g/mol
Exact Mass2068.79
IUPAC Name2-[[3-(5-amino-1,2,4-oxadiazol-3-yl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;2-[[3-(5-chloro-1,2,4-oxadiazol-3-yl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;chloro(trimethyl)silane;diethylcyanamide;N,N-diethylethanamine;6-(3,5-difluorophenyl)-2-[[3-[5-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide;2-piperazin-1-ylethanol
SMILESCCN(C#N)CC.CCN(CC)CC.C[Si](C)(C)Cl.N/C(=N\O)c1cccc(Cn2nc(-c3cc(F)cc(F)c3)ccc2=O)c1.Nc1nc(-c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)no1.O=c1ccc(-c2cc(F)cc(F)c2)nn1Cc1cccc(-c2noc(Cl)n2)c1.O=c1ccc(-c2cc(F)cc(F)c2)nn1Cc1cccc(-c2noc(N3CCN(CCO)CC3)n2)c1.OCCN1CCNCC1
InChIInChI=1S/C25H24F2N6O3.C19H11ClF2N4O2.C19H13F2N5O2.C18H14F2N4O2.C6H14N2O.C6H15N.C5H10N2.C3H9ClSi/c26-20-13-19(14-21(27)15-20)22-4-5-23(35)33(29-22)16-17-2-1-3-18(12-17)24-28-25(36-30-24)32-8-6-31(7-9-32)10-11-34;20-19-23-18(25-28-19)12-3-1-2-11(6-12)10-26-17(27)5-4-16(24-26)13-7-14(21)9-15(22)8-13;20-14-7-13(8-15(21)9-14)16-4-5-17(27)26(24-16)10-11-2-1-3-12(6-11)18-23-19(22)28-25-18;19-14-7-13(8-15(20)9-14)16-4-5-17(25)24(22-16)10-11-2-1-3-12(6-11)18(21)23-26;9-6-5-8-3-1-7-2-4-8;1-4-7(5-2)6-3;1-3-7(4-2)5-6;1-5(2,3)4/h1-5,12-15,34H,6-11,16H2;1-9H,10H2;1-9H,10H2,(H2,22,23,25);1-9,26H,10H2,(H2,21,23);7,9H,1-6H2;4-6H2,1-3H3;3-4H2,1-2H3;1-3H3
InChIKeyMZZFEOSTLKMCCA-UHFFFAOYSA-N
XLogP14.64
TPSA433.43 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds26
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002071.12
LogP ≤ 514.64
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[[3-(5-amino-1,2,4-oxadiazol-3-yl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;2-[[3-(5-chloro-1,2,4-oxadiazol-3-yl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;chloro(trimethyl)silane;diethylcyanamide;N,N-diethylethanamine;6-(3,5-difluorophenyl)-2-[[3-[5-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide;2-piperazin-1-ylethanol with MolForge

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Related Compounds

2-[[3-[5-(4-propan-2-ylpiperazin-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-6-(3,4,5-trifluorophenyl)pyridazin-3-one
CID 59534573
6-(3,5-difluorophenyl)-2-[[3-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one
CID 24830121
2-[[3-[5-(butylamino)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;ethane
CID 143623684
[amino-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]methylidene]azanium
CID 59484841
2-[(3-aminophenyl)methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;ethane
CID 143480951
[(Z)-[amino-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]methylidene]amino] N'-[3-(dimethylamino)propyl]-N-ethylcarbamimidate;6-(3,5-difluorophenyl)-2-[[3-[5-[3-(dimethylamino)propylamino]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;6-(3,5-difluorophenyl)-2-[[3-[5-(ethylamino)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide;3-(2-ethyliminoethylideneamino)-N,N-dimethylpropan-1-amine;oxolane
CID 172972230
6-(4-fluorophenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyridazin-3-one
CID 24829949
6-(3,5-difluorophenyl)-2-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyridazin-3-one
CID 59534559
6-(3,5-difluorophenyl)-2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyridazin-3-one
CID 24830125
ethyl 2-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidine-5-carboxylate
CID 25173290
tert-butyl 4-[[3-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-1,2,4-oxadiazol-5-yl]-methylamino]piperidine-1-carboxylate;ethane;(E)-2-fluorobut-2-ene
CID 143623715
5-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one
CID 24830281

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(5-amino-1,2,4-oxadiazol-3-yl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;2-[[3-(5-chloro-1,2,4-oxadiazol-3-yl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;chloro(trimethyl)silane;diethylcyanamide;N,N-diethylethanamine;6-(3,5-difluorophenyl)-2-[[3-[5-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide;2-piperazin-1-ylethanol?
The IUPAC name of 2-[[3-(5-amino-1,2,4-oxadiazol-3-yl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;2-[[3-(5-chloro-1,2,4-oxadiazol-3-yl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;chloro(trimethyl)silane;diethylcyanamide;N,N-diethylethanamine;6-(3,5-difluorophenyl)-2-[[3-[5-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide;2-piperazin-1-ylethanol (CID 172953524) is 2-[[3-(5-amino-1,2,4-oxadiazol-3-yl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;2-[[3-(5-chloro-1,2,4-oxadiazol-3-yl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;chloro(trimethyl)silane;diethylcyanamide;N,N-diethylethanamine;6-(3,5-difluorophenyl)-2-[[3-[5-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide;2-piperazin-1-ylethanol.
What is the SMILES notation for 2-[[3-(5-amino-1,2,4-oxadiazol-3-yl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;2-[[3-(5-chloro-1,2,4-oxadiazol-3-yl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;chloro(trimethyl)silane;diethylcyanamide;N,N-diethylethanamine;6-(3,5-difluorophenyl)-2-[[3-[5-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide;2-piperazin-1-ylethanol?
The canonical SMILES for 2-[[3-(5-amino-1,2,4-oxadiazol-3-yl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;2-[[3-(5-chloro-1,2,4-oxadiazol-3-yl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;chloro(trimethyl)silane;diethylcyanamide;N,N-diethylethanamine;6-(3,5-difluorophenyl)-2-[[3-[5-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide;2-piperazin-1-ylethanol is CCN(C#N)CC.CCN(CC)CC.C[Si](C)(C)Cl.N/C(=N\O)c1cccc(Cn2nc(-c3cc(F)cc(F)c3)ccc2=O)c1.Nc1nc(-c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)no1.O=c1ccc(-c2cc(F)cc(F)c2)nn1Cc1cccc(-c2noc(Cl)n2)c1.O=c1ccc(-c2cc(F)cc(F)c2)nn1Cc1cccc(-c2noc(N3CCN(CCO)CC3)n2)c1.OCCN1CCNCC1.
What is the InChIKey of 2-[[3-(5-amino-1,2,4-oxadiazol-3-yl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;2-[[3-(5-chloro-1,2,4-oxadiazol-3-yl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;chloro(trimethyl)silane;diethylcyanamide;N,N-diethylethanamine;6-(3,5-difluorophenyl)-2-[[3-[5-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide;2-piperazin-1-ylethanol?
The InChIKey is MZZFEOSTLKMCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N6O3.C19H11ClF2N4O2.C19H13F2N5O2.C18H14F2N4O2.C6H14N2O.C6H15N.C5H10N2.C3H9ClSi/c26-20-13-19(14-21(27)15-20)22-4-5-23(35)33(29-22)16-17-2-1-3-18(12-17)24-28-25(36-30-24)32-8-6-31(7-9-32)10-11-34;20-19-23-18(25-28-19)12-3-1-2-11(6-12)10-26-17(27)5-4-16(24-26)13-7-14(21)9-15(22)8-13;20-14-7-13(8-15(21)9-14)16-4-5-17(27)26(24-16)10-11-2-1-3-12(6-11)18-23-19(22)28-25-18;19-14-7-13(8-15(20)9-14)16-4-5-17(25)24(22-16)10-11-2-1-3-12(6-11)18(21)23-26;9-6-5-8-3-1-7-2-4-8;1-4-7(5-2)6-3;1-3-7(4-2)5-6;1-5(2,3)4/h1-5,12-15,34H,6-11,16H2;1-9H,10H2;1-9H,10H2,(H2,22,23,25);1-9,26H,10H2,(H2,21,23);7,9H,1-6H2;4-6H2,1-3H3;3-4H2,1-2H3;1-3H3.
What are the key properties of 2-[[3-(5-amino-1,2,4-oxadiazol-3-yl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;2-[[3-(5-chloro-1,2,4-oxadiazol-3-yl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;chloro(trimethyl)silane;diethylcyanamide;N,N-diethylethanamine;6-(3,5-difluorophenyl)-2-[[3-[5-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide;2-piperazin-1-ylethanol?
2-[[3-(5-amino-1,2,4-oxadiazol-3-yl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;2-[[3-(5-chloro-1,2,4-oxadiazol-3-yl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;chloro(trimethyl)silane;diethylcyanamide;N,N-diethylethanamine;6-(3,5-difluorophenyl)-2-[[3-[5-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide;2-piperazin-1-ylethanol has a molecular weight of 2071.12 g/mol, XLogP of 14.64, 26 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(5-amino-1,2,4-oxadiazol-3-yl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;2-[[3-(5-chloro-1,2,4-oxadiazol-3-yl)phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;chloro(trimethyl)silane;diethylcyanamide;N,N-diethylethanamine;6-(3,5-difluorophenyl)-2-[[3-[5-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide;2-piperazin-1-ylethanol is sourced from PubChem (CID 172953524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).