2-[(4-amino-2-chlorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one

C14H17ClN4O — CID 114393589

IUPAC2-[(4-amino-2-chlorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCN(C)c1cnn(Cc2ccc(N)cc2Cl)c(=O)c1
InChIInChI=1S/C14H17ClN4O/c1-3-18(2)12-7-14(20)19(17-8-12)9-10-4-5-11(16)6-13(10)15/h4-8H,3,9,16H2,1-2H3
InChIKeyBFODDJMYQUCYFQ-UHFFFAOYSA-N
MW292.77 g/mol
LogP1.98
Rot. Bonds4

About 2-[(4-amino-2-chlorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one

2-[(4-amino-2-chlorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one (PubChem CID 114393589) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-[(4-amino-2-chlorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[(4-amino-2-chlorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
PubChem CID114393589
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name2-[(4-amino-2-chlorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCN(C)c1cnn(Cc2ccc(N)cc2Cl)c(=O)c1
InChIInChI=1S/C14H17ClN4O/c1-3-18(2)12-7-14(20)19(17-8-12)9-10-4-5-11(16)6-13(10)15/h4-8H,3,9,16H2,1-2H3
InChIKeyBFODDJMYQUCYFQ-UHFFFAOYSA-N
XLogP1.98
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2-bromo-4-fluorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114396929
2-[(2-amino-4-chlorophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114393646
2-[(4-amino-2-bromophenyl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 114393483
2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 114397031
2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114395571
2-[2-(2-aminophenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114393582
2-[(5-amino-2-methoxyphenyl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 114393496
2-[[2-(ethylamino)-3-pyridinyl]methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114397276
2-[2-(tert-butylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394839
5-[ethyl(methyl)amino]-2-[(5-hydrazinylpyrazin-2-yl)methyl]pyridazin-3-one
CID 103061659
3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanethioamide
CID 114395814
2-(4-bromobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394326

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2-chlorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-[(4-amino-2-chlorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one (CID 114393589) is 2-[(4-amino-2-chlorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[(4-amino-2-chlorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[(4-amino-2-chlorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one is CCN(C)c1cnn(Cc2ccc(N)cc2Cl)c(=O)c1.
What is the InChIKey of 2-[(4-amino-2-chlorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The InChIKey is BFODDJMYQUCYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-3-18(2)12-7-14(20)19(17-8-12)9-10-4-5-11(16)6-13(10)15/h4-8H,3,9,16H2,1-2H3.
What are the key properties of 2-[(4-amino-2-chlorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
2-[(4-amino-2-chlorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one has a molecular weight of 292.77 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2-chlorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 114393589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).