6-[amino-(4-ethoxyphenyl)methyl]-2-methylpyridazin-3-one

C14H17N3O2 — CID 82442111

IUPAC6-[amino-(4-ethoxyphenyl)methyl]-2-methylpyridazin-3-one
SMILESCCOc1ccc(C(N)c2ccc(=O)n(C)n2)cc1
InChIInChI=1S/C14H17N3O2/c1-3-19-11-6-4-10(5-7-11)14(15)12-8-9-13(18)17(2)16-12/h4-9,14H,3,15H2,1-2H3
InChIKeyDNIABTHYXAIQLY-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.23
Rot. Bonds4

About 6-[amino-(4-ethoxyphenyl)methyl]-2-methylpyridazin-3-one

6-[amino-(4-ethoxyphenyl)methyl]-2-methylpyridazin-3-one (PubChem CID 82442111) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-[amino-(4-ethoxyphenyl)methyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[amino-(4-ethoxyphenyl)methyl]-2-methylpyridazin-3-one
PubChem CID82442111
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name6-[amino-(4-ethoxyphenyl)methyl]-2-methylpyridazin-3-one
SMILESCCOc1ccc(C(N)c2ccc(=O)n(C)n2)cc1
InChIInChI=1S/C14H17N3O2/c1-3-19-11-6-4-10(5-7-11)14(15)12-8-9-13(18)17(2)16-12/h4-9,14H,3,15H2,1-2H3
InChIKeyDNIABTHYXAIQLY-UHFFFAOYSA-N
XLogP1.23
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[amino-(4-ethoxyphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one
CID 82442351
6-[amino-(4-propan-2-ylphenyl)methyl]-2-methylpyridazin-3-one
CID 82442102
6-(4-ethoxyphenyl)-2-methylpyridazin-3-one
CID 7660164
(4-ethoxyphenyl)-(5-fluoro-2-pyridinyl)methanamine
CID 79722742
4-[amino-(4-ethoxyphenyl)methyl]-6-methyl-2-propylpyridazin-3-one
CID 82442816
(4-ethoxyphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124250
N-[1-(4-ethoxyphenyl)-2-methoxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 119052898
(4-ethoxyphenyl)-(4-ethylsulfanylphenyl)methanamine
CID 106848489
3-[2-amino-2-(4-ethoxyphenyl)ethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 64632965
(4-ethoxyphenyl)-(1H-pyrazol-4-yl)methanamine
CID 82239705
6-[amino-(4-chlorophenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one
CID 82442349
amino-(4-ethoxyphenyl)methanol
CID 116939610

Frequently Asked Questions

What is the IUPAC name of 6-[amino-(4-ethoxyphenyl)methyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[amino-(4-ethoxyphenyl)methyl]-2-methylpyridazin-3-one (CID 82442111) is 6-[amino-(4-ethoxyphenyl)methyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[amino-(4-ethoxyphenyl)methyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[amino-(4-ethoxyphenyl)methyl]-2-methylpyridazin-3-one is CCOc1ccc(C(N)c2ccc(=O)n(C)n2)cc1.
What is the InChIKey of 6-[amino-(4-ethoxyphenyl)methyl]-2-methylpyridazin-3-one?
The InChIKey is DNIABTHYXAIQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-19-11-6-4-10(5-7-11)14(15)12-8-9-13(18)17(2)16-12/h4-9,14H,3,15H2,1-2H3.
What are the key properties of 6-[amino-(4-ethoxyphenyl)methyl]-2-methylpyridazin-3-one?
6-[amino-(4-ethoxyphenyl)methyl]-2-methylpyridazin-3-one has a molecular weight of 259.31 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(4-ethoxyphenyl)methyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 82442111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).