4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one

C16H21N3O — CID 82467609

IUPAC4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one
SMILESCCc1ccc(-c2cc(N)c(=O)n(CC(C)C)n2)cc1
InChIInChI=1S/C16H21N3O/c1-4-12-5-7-13(8-6-12)15-9-14(17)16(20)19(18-15)10-11(2)3/h5-9,11H,4,10,17H2,1-3H3
InChIKeyMPKHKSQBMYXZST-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.71
Rot. Bonds4

About 4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one

4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 82467609) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one
PubChem CID82467609
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one
SMILESCCc1ccc(-c2cc(N)c(=O)n(CC(C)C)n2)cc1
InChIInChI=1S/C16H21N3O/c1-4-12-5-7-13(8-6-12)15-9-14(17)16(20)19(18-15)10-11(2)3/h5-9,11H,4,10,17H2,1-3H3
InChIKeyMPKHKSQBMYXZST-UHFFFAOYSA-N
XLogP2.71
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one (CID 82467609) is 4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one is CCc1ccc(-c2cc(N)c(=O)n(CC(C)C)n2)cc1.
What is the InChIKey of 4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is MPKHKSQBMYXZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-12-5-7-13(8-6-12)15-9-14(17)16(20)19(18-15)10-11(2)3/h5-9,11H,4,10,17H2,1-3H3.
What are the key properties of 4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one?
4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 271.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 82467609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).