2-[(2,3-dichlorophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one

C15H17Cl2N3O — CID 107313022

IUPAC2-[(2,3-dichlorophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one
SMILESCC(C)CNc1cnn(Cc2cccc(Cl)c2Cl)c(=O)c1
InChIInChI=1S/C15H17Cl2N3O/c1-10(2)7-18-12-6-14(21)20(19-8-12)9-11-4-3-5-13(16)15(11)17/h3-6,8,10,18H,7,9H2,1-2H3
InChIKeyIZUHODNCVCZEND-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.67
Rot. Bonds5

About 2-[(2,3-dichlorophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one

2-[(2,3-dichlorophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one (PubChem CID 107313022) has the molecular formula C15H17Cl2N3O and a molecular weight of 326.23 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one
PubChem CID107313022
Molecular FormulaC15H17Cl2N3O
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name2-[(2,3-dichlorophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one
SMILESCC(C)CNc1cnn(Cc2cccc(Cl)c2Cl)c(=O)c1
InChIInChI=1S/C15H17Cl2N3O/c1-10(2)7-18-12-6-14(21)20(19-8-12)9-11-4-3-5-13(16)15(11)17/h3-6,8,10,18H,7,9H2,1-2H3
InChIKeyIZUHODNCVCZEND-UHFFFAOYSA-N
XLogP3.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,3-dichlorophenyl)methyl]-5-methylpyridazin-3-one
CID 22892828
2-[(3-bromophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one
CID 103221567
5-amino-2-[(2,3-dichlorophenyl)methyl]pyridazin-3-one
CID 107313014
5-(2-aminoethylamino)-2-[(2-chlorophenyl)methyl]pyridazin-3-one
CID 103220968
5-(2-methylpropylamino)-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one
CID 103221517
N-tert-butyl-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide
CID 103221610
2-[(3-chloro-4-pyridinyl)methyl]-5-(ethylamino)pyridazin-3-one
CID 103218866
5-(2-methylpropylamino)-2-(2-pyridin-3-ylethyl)pyridazin-3-one
CID 103221479
2-[2-(2-methylpropoxy)ethyl]-5-(2-methylpropylamino)pyridazin-3-one
CID 106460207
2-[(2,5-dichlorophenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220082
2-(3-ethylsulfanylpropyl)-5-(2-methylpropylamino)pyridazin-3-one
CID 103221727
2-[(2-methylphenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220104

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one?
The IUPAC name of 2-[(2,3-dichlorophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one (CID 107313022) is 2-[(2,3-dichlorophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one?
The canonical SMILES for 2-[(2,3-dichlorophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one is CC(C)CNc1cnn(Cc2cccc(Cl)c2Cl)c(=O)c1.
What is the InChIKey of 2-[(2,3-dichlorophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one?
The InChIKey is IZUHODNCVCZEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O/c1-10(2)7-18-12-6-14(21)20(19-8-12)9-11-4-3-5-13(16)15(11)17/h3-6,8,10,18H,7,9H2,1-2H3.
What are the key properties of 2-[(2,3-dichlorophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one?
2-[(2,3-dichlorophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one has a molecular weight of 326.23 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one is sourced from PubChem (CID 107313022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).