2-[[2-ethoxy-5-[1-(methylamino)ethyl]phenyl]methyl]pyridazin-3-one

C16H21N3O2 — CID 62849248

IUPAC2-[[2-ethoxy-5-[1-(methylamino)ethyl]phenyl]methyl]pyridazin-3-one
SMILESCCOc1ccc(C(C)NC)cc1Cn1ncccc1=O
InChIInChI=1S/C16H21N3O2/c1-4-21-15-8-7-13(12(2)17-3)10-14(15)11-19-16(20)6-5-9-18-19/h5-10,12,17H,4,11H2,1-3H3
InChIKeyAFNFSDSUNUCYHG-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.97
Rot. Bonds6

About 2-[[2-ethoxy-5-[1-(methylamino)ethyl]phenyl]methyl]pyridazin-3-one

2-[[2-ethoxy-5-[1-(methylamino)ethyl]phenyl]methyl]pyridazin-3-one (PubChem CID 62849248) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[[2-ethoxy-5-[1-(methylamino)ethyl]phenyl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[2-ethoxy-5-[1-(methylamino)ethyl]phenyl]methyl]pyridazin-3-one
PubChem CID62849248
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[[2-ethoxy-5-[1-(methylamino)ethyl]phenyl]methyl]pyridazin-3-one
SMILESCCOc1ccc(C(C)NC)cc1Cn1ncccc1=O
InChIInChI=1S/C16H21N3O2/c1-4-21-15-8-7-13(12(2)17-3)10-14(15)11-19-16(20)6-5-9-18-19/h5-10,12,17H,4,11H2,1-3H3
InChIKeyAFNFSDSUNUCYHG-UHFFFAOYSA-N
XLogP1.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]pyridazin-3-one
CID 62850668
2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]-5-propan-2-ylbenzenesulfonamide
CID 42226805
1-(4-ethoxy-3-methylphenyl)-N-methylethanamine
CID 82491203
1-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]pyridin-4-one
CID 62880677
1-[4-ethoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine
CID 106927422
2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]pyridazin-3-one
CID 62850130
3-[[2-ethoxy-5-[1-(methylamino)ethyl]phenyl]methylsulfanyl]propan-1-ol
CID 66126439
1-[4-ethoxy-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-N-methylethanamine
CID 64650704
2-[[2-methoxy-5-(propylaminomethyl)phenyl]methyl]pyridazin-3-one
CID 62850131
2-[3-(methylamino)butyl]pyridazin-3-one
CID 62849068
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 33142762
2-[(4,6-dichloro-3-pyridinyl)methyl]pyridazin-3-one
CID 116519203

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethoxy-5-[1-(methylamino)ethyl]phenyl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[2-ethoxy-5-[1-(methylamino)ethyl]phenyl]methyl]pyridazin-3-one (CID 62849248) is 2-[[2-ethoxy-5-[1-(methylamino)ethyl]phenyl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[2-ethoxy-5-[1-(methylamino)ethyl]phenyl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[2-ethoxy-5-[1-(methylamino)ethyl]phenyl]methyl]pyridazin-3-one is CCOc1ccc(C(C)NC)cc1Cn1ncccc1=O.
What is the InChIKey of 2-[[2-ethoxy-5-[1-(methylamino)ethyl]phenyl]methyl]pyridazin-3-one?
The InChIKey is AFNFSDSUNUCYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-21-15-8-7-13(12(2)17-3)10-14(15)11-19-16(20)6-5-9-18-19/h5-10,12,17H,4,11H2,1-3H3.
What are the key properties of 2-[[2-ethoxy-5-[1-(methylamino)ethyl]phenyl]methyl]pyridazin-3-one?
2-[[2-ethoxy-5-[1-(methylamino)ethyl]phenyl]methyl]pyridazin-3-one has a molecular weight of 287.36 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethoxy-5-[1-(methylamino)ethyl]phenyl]methyl]pyridazin-3-one is sourced from PubChem (CID 62849248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).