4-amino-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one;5-[(3-fluorophenyl)methyl]pyridine-2-carboxylic acid;4-[2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one;hydrazine;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;hydrate

C56H55Cl2F3N12O9 — CID 167562251

IUPAC4-amino-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one;5-[(3-fluorophenyl)methyl]pyridine-2-carboxylic acid;4-[2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one;hydrazine;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;hydrate
SMILESCOC(=O)c1ccc(Cc2cccc(F)c2)cn1.Cn1ncc(Cl)c(Cl)c1=O.Cn1nccc(CC(=O)c2ccc(Cc3cccc(F)c3)cn2)c1=O.Cn1nccc(N)c1=O.NN.O.O=C(O)c1ccc(Cc2cccc(F)c2)cn1
InChIInChI=1S/C19H16FN3O2.C14H12FNO2.C13H10FNO2.C5H4Cl2N2O.C5H7N3O.H4N2.H2O/c1-23-19(25)15(7-8-22-23)11-18(24)17-6-5-14(12-21-17)9-13-3-2-4-16(20)10-13;1-18-14(17)13-6-5-11(9-16-13)7-10-3-2-4-12(15)8-10;14-11-3-1-2-9(7-11)6-10-4-5-12(13(16)17)15-8-10;1-9-5(10)4(7)3(6)2-8-9;1-8-5(9)4(6)2-3-7-8;1-2;/h2-8,10,12H,9,11H2,1H3;2-6,8-9H,7H2,1H3;1-5,7-8H,6H2,(H,16,17);2H,1H3;2-3H,6H2,1H3;1-2H2;1H2
InChIKeyWQDYBSXIDDHNTO-UHFFFAOYSA-N
MW1168.03 g/mol
LogP5.88
Rot. Bonds11

About 4-amino-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one;5-[(3-fluorophenyl)methyl]pyridine-2-carboxylic acid;4-[2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one;hydrazine;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;hydrate

4-amino-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one;5-[(3-fluorophenyl)methyl]pyridine-2-carboxylic acid;4-[2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one;hydrazine;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;hydrate (PubChem CID 167562251) has the molecular formula C56H55Cl2F3N12O9 and a molecular weight of 1168.03 g/mol. Its IUPAC name is 4-amino-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one;5-[(3-fluorophenyl)methyl]pyridine-2-carboxylic acid;4-[2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one;hydrazine;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;hydrate.

Molecular Properties

Compound Name4-amino-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one;5-[(3-fluorophenyl)methyl]pyridine-2-carboxylic acid;4-[2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one;hydrazine;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;hydrate
PubChem CID167562251
Molecular FormulaC56H55Cl2F3N12O9
Molecular Weight1168.03 g/mol
Exact Mass1166.35
IUPAC Name4-amino-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one;5-[(3-fluorophenyl)methyl]pyridine-2-carboxylic acid;4-[2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one;hydrazine;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;hydrate
SMILESCOC(=O)c1ccc(Cc2cccc(F)c2)cn1.Cn1ncc(Cl)c(Cl)c1=O.Cn1nccc(CC(=O)c2ccc(Cc3cccc(F)c3)cn2)c1=O.Cn1nccc(N)c1=O.NN.O.O=C(O)c1ccc(Cc2cccc(F)c2)cn1
InChIInChI=1S/C19H16FN3O2.C14H12FNO2.C13H10FNO2.C5H4Cl2N2O.C5H7N3O.H4N2.H2O/c1-23-19(25)15(7-8-22-23)11-18(24)17-6-5-14(12-21-17)9-13-3-2-4-16(20)10-13;1-18-14(17)13-6-5-11(9-16-13)7-10-3-2-4-12(15)8-10;14-11-3-1-2-9(7-11)6-10-4-5-12(13(16)17)15-8-10;1-9-5(10)4(7)3(6)2-8-9;1-8-5(9)4(6)2-3-7-8;1-2;/h2-8,10,12H,9,11H2,1H3;2-6,8-9H,7H2,1H3;1-5,7-8H,6H2,(H,16,17);2H,1H3;2-3H,6H2,1H3;1-2H2;1H2
InChIKeyWQDYBSXIDDHNTO-UHFFFAOYSA-N
XLogP5.88
TPSA333.57 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001168.03
LogP ≤ 55.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-amino-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one;5-[(3-fluorophenyl)methyl]pyridine-2-carboxylic acid;4-[2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one;hydrazine;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;hydrate with MolForge

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Related Compounds

6-Amino-2-methylpyridazin-3-one;6-[2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one;methane;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate
CID 167632645
6-Amino-2-methyl-4,5-dihydropyridazin-3-one;2,6-dimethyl-4,5-dihydropyridazin-3-one;6-[2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methyl-4,5-dihydropyridazin-3-one;methane;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid;2-methylpropan-2-ol
CID 167639403

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one;5-[(3-fluorophenyl)methyl]pyridine-2-carboxylic acid;4-[2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one;hydrazine;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;hydrate?
The IUPAC name of 4-amino-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one;5-[(3-fluorophenyl)methyl]pyridine-2-carboxylic acid;4-[2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one;hydrazine;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;hydrate (CID 167562251) is 4-amino-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one;5-[(3-fluorophenyl)methyl]pyridine-2-carboxylic acid;4-[2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one;hydrazine;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;hydrate.
What is the SMILES notation for 4-amino-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one;5-[(3-fluorophenyl)methyl]pyridine-2-carboxylic acid;4-[2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one;hydrazine;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;hydrate?
The canonical SMILES for 4-amino-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one;5-[(3-fluorophenyl)methyl]pyridine-2-carboxylic acid;4-[2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one;hydrazine;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;hydrate is COC(=O)c1ccc(Cc2cccc(F)c2)cn1.Cn1ncc(Cl)c(Cl)c1=O.Cn1nccc(CC(=O)c2ccc(Cc3cccc(F)c3)cn2)c1=O.Cn1nccc(N)c1=O.NN.O.O=C(O)c1ccc(Cc2cccc(F)c2)cn1.
What is the InChIKey of 4-amino-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one;5-[(3-fluorophenyl)methyl]pyridine-2-carboxylic acid;4-[2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one;hydrazine;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;hydrate?
The InChIKey is WQDYBSXIDDHNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2.C14H12FNO2.C13H10FNO2.C5H4Cl2N2O.C5H7N3O.H4N2.H2O/c1-23-19(25)15(7-8-22-23)11-18(24)17-6-5-14(12-21-17)9-13-3-2-4-16(20)10-13;1-18-14(17)13-6-5-11(9-16-13)7-10-3-2-4-12(15)8-10;14-11-3-1-2-9(7-11)6-10-4-5-12(13(16)17)15-8-10;1-9-5(10)4(7)3(6)2-8-9;1-8-5(9)4(6)2-3-7-8;1-2;/h2-8,10,12H,9,11H2,1H3;2-6,8-9H,7H2,1H3;1-5,7-8H,6H2,(H,16,17);2H,1H3;2-3H,6H2,1H3;1-2H2;1H2.
What are the key properties of 4-amino-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one;5-[(3-fluorophenyl)methyl]pyridine-2-carboxylic acid;4-[2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one;hydrazine;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;hydrate?
4-amino-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one;5-[(3-fluorophenyl)methyl]pyridine-2-carboxylic acid;4-[2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one;hydrazine;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;hydrate has a molecular weight of 1168.03 g/mol, XLogP of 5.88, 11 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one;5-[(3-fluorophenyl)methyl]pyridine-2-carboxylic acid;4-[2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one;hydrazine;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;hydrate is sourced from PubChem (CID 167562251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).