4-(aminomethyl)-6-(3,4-dichlorophenyl)-1,2-dimethyl-4H-pyridazin-3-one

C13H15Cl2N3O — CID 70418288

IUPAC4-(aminomethyl)-6-(3,4-dichlorophenyl)-1,2-dimethyl-4H-pyridazin-3-one
SMILESCN1C(=O)C(CN)C=C(c2ccc(Cl)c(Cl)c2)N1C
InChIInChI=1S/C13H15Cl2N3O/c1-17-12(6-9(7-16)13(19)18(17)2)8-3-4-10(14)11(15)5-8/h3-6,9H,7,16H2,1-2H3
InChIKeyLVNNUVKWRFYWOO-UHFFFAOYSA-N
MW300.19 g/mol
LogP2.23
Rot. Bonds2

About 4-(aminomethyl)-6-(3,4-dichlorophenyl)-1,2-dimethyl-4H-pyridazin-3-one

4-(aminomethyl)-6-(3,4-dichlorophenyl)-1,2-dimethyl-4H-pyridazin-3-one (PubChem CID 70418288) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is 4-(aminomethyl)-6-(3,4-dichlorophenyl)-1,2-dimethyl-4H-pyridazin-3-one.

Molecular Properties

Compound Name4-(aminomethyl)-6-(3,4-dichlorophenyl)-1,2-dimethyl-4H-pyridazin-3-one
PubChem CID70418288
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC Name4-(aminomethyl)-6-(3,4-dichlorophenyl)-1,2-dimethyl-4H-pyridazin-3-one
SMILESCN1C(=O)C(CN)C=C(c2ccc(Cl)c(Cl)c2)N1C
InChIInChI=1S/C13H15Cl2N3O/c1-17-12(6-9(7-16)13(19)18(17)2)8-3-4-10(14)11(15)5-8/h3-6,9H,7,16H2,1-2H3
InChIKeyLVNNUVKWRFYWOO-UHFFFAOYSA-N
XLogP2.23
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-(3,4-dichlorophenyl)-1,2-dimethyl-4H-pyridazin-3-one?
The IUPAC name of 4-(aminomethyl)-6-(3,4-dichlorophenyl)-1,2-dimethyl-4H-pyridazin-3-one (CID 70418288) is 4-(aminomethyl)-6-(3,4-dichlorophenyl)-1,2-dimethyl-4H-pyridazin-3-one.
What is the SMILES notation for 4-(aminomethyl)-6-(3,4-dichlorophenyl)-1,2-dimethyl-4H-pyridazin-3-one?
The canonical SMILES for 4-(aminomethyl)-6-(3,4-dichlorophenyl)-1,2-dimethyl-4H-pyridazin-3-one is CN1C(=O)C(CN)C=C(c2ccc(Cl)c(Cl)c2)N1C.
What is the InChIKey of 4-(aminomethyl)-6-(3,4-dichlorophenyl)-1,2-dimethyl-4H-pyridazin-3-one?
The InChIKey is LVNNUVKWRFYWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O/c1-17-12(6-9(7-16)13(19)18(17)2)8-3-4-10(14)11(15)5-8/h3-6,9H,7,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-6-(3,4-dichlorophenyl)-1,2-dimethyl-4H-pyridazin-3-one?
4-(aminomethyl)-6-(3,4-dichlorophenyl)-1,2-dimethyl-4H-pyridazin-3-one has a molecular weight of 300.19 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-(3,4-dichlorophenyl)-1,2-dimethyl-4H-pyridazin-3-one is sourced from PubChem (CID 70418288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).