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

C17H23N3O2 — CID 82442816

IUPAC4-[amino-(4-ethoxyphenyl)methyl]-6-methyl-2-propylpyridazin-3-one
SMILESCCCn1nc(C)cc(C(N)c2ccc(OCC)cc2)c1=O
InChIInChI=1S/C17H23N3O2/c1-4-10-20-17(21)15(11-12(3)19-20)16(18)13-6-8-14(9-7-13)22-5-2/h6-9,11,16H,4-5,10,18H2,1-3H3
InChIKeyBFLXPCBELXDNOZ-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.41
Rot. Bonds6

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

4-[amino-(4-ethoxyphenyl)methyl]-6-methyl-2-propylpyridazin-3-one (PubChem CID 82442816) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-[amino-(4-ethoxyphenyl)methyl]-6-methyl-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-[amino-(4-ethoxyphenyl)methyl]-6-methyl-2-propylpyridazin-3-one
PubChem CID82442816
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name4-[amino-(4-ethoxyphenyl)methyl]-6-methyl-2-propylpyridazin-3-one
SMILESCCCn1nc(C)cc(C(N)c2ccc(OCC)cc2)c1=O
InChIInChI=1S/C17H23N3O2/c1-4-10-20-17(21)15(11-12(3)19-20)16(18)13-6-8-14(9-7-13)22-5-2/h6-9,11,16H,4-5,10,18H2,1-3H3
InChIKeyBFLXPCBELXDNOZ-UHFFFAOYSA-N
XLogP2.41
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[amino-(2,5-dimethylphenyl)methyl]-6-methyl-2-propylpyridazin-3-one
CID 82442812
4-[amino-(4-chlorophenyl)methyl]-2-ethyl-6-methylpyridazin-3-one
CID 82442733
4-amino-6-(4-ethoxyphenyl)-2-propylpyridazin-3-one
CID 82467559
6-[amino-(4-ethoxyphenyl)methyl]-2-methylpyridazin-3-one
CID 82442111
4-[amino(thiophen-2-yl)methyl]-2-butyl-6-methylpyridazin-3-one
CID 82442949
6-[amino-(4-ethoxyphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one
CID 82442351
(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanamine
CID 43197133
2-(3,5-dimethylpyrazol-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 16783595
(4-ethoxyphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124250
(4-ethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301574
4-(1-aminoethyl)-2-ethyl-6-methylpyridazin-3-one
CID 82442775
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 33302113

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(4-ethoxyphenyl)methyl]-6-methyl-2-propylpyridazin-3-one?
The IUPAC name of 4-[amino-(4-ethoxyphenyl)methyl]-6-methyl-2-propylpyridazin-3-one (CID 82442816) is 4-[amino-(4-ethoxyphenyl)methyl]-6-methyl-2-propylpyridazin-3-one.
What is the SMILES notation for 4-[amino-(4-ethoxyphenyl)methyl]-6-methyl-2-propylpyridazin-3-one?
The canonical SMILES for 4-[amino-(4-ethoxyphenyl)methyl]-6-methyl-2-propylpyridazin-3-one is CCCn1nc(C)cc(C(N)c2ccc(OCC)cc2)c1=O.
What is the InChIKey of 4-[amino-(4-ethoxyphenyl)methyl]-6-methyl-2-propylpyridazin-3-one?
The InChIKey is BFLXPCBELXDNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-4-10-20-17(21)15(11-12(3)19-20)16(18)13-6-8-14(9-7-13)22-5-2/h6-9,11,16H,4-5,10,18H2,1-3H3.
What are the key properties of 4-[amino-(4-ethoxyphenyl)methyl]-6-methyl-2-propylpyridazin-3-one?
4-[amino-(4-ethoxyphenyl)methyl]-6-methyl-2-propylpyridazin-3-one has a molecular weight of 301.39 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(4-ethoxyphenyl)methyl]-6-methyl-2-propylpyridazin-3-one is sourced from PubChem (CID 82442816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).