5-acetyl-4-amino-2-butyl-6-pyridin-4-ylpyridazin-3-one

C15H18N4O2 — CID 16755889

IUPAC5-acetyl-4-amino-2-butyl-6-pyridin-4-ylpyridazin-3-one
SMILESCCCCn1nc(-c2ccncc2)c(C(C)=O)c(N)c1=O
InChIInChI=1S/C15H18N4O2/c1-3-4-9-19-15(21)13(16)12(10(2)20)14(18-19)11-5-7-17-8-6-11/h5-8H,3-4,9,16H2,1-2H3
InChIKeyMKIYQJKTYNZSQK-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.89
Rot. Bonds5

About 5-acetyl-4-amino-2-butyl-6-pyridin-4-ylpyridazin-3-one

5-acetyl-4-amino-2-butyl-6-pyridin-4-ylpyridazin-3-one (PubChem CID 16755889) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 5-acetyl-4-amino-2-butyl-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name5-acetyl-4-amino-2-butyl-6-pyridin-4-ylpyridazin-3-one
PubChem CID16755889
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name5-acetyl-4-amino-2-butyl-6-pyridin-4-ylpyridazin-3-one
SMILESCCCCn1nc(-c2ccncc2)c(C(C)=O)c(N)c1=O
InChIInChI=1S/C15H18N4O2/c1-3-4-9-19-15(21)13(16)12(10(2)20)14(18-19)11-5-7-17-8-6-11/h5-8H,3-4,9,16H2,1-2H3
InChIKeyMKIYQJKTYNZSQK-UHFFFAOYSA-N
XLogP1.89
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-amino-2-butyl-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 5-acetyl-4-amino-2-butyl-6-pyridin-4-ylpyridazin-3-one (CID 16755889) is 5-acetyl-4-amino-2-butyl-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 5-acetyl-4-amino-2-butyl-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 5-acetyl-4-amino-2-butyl-6-pyridin-4-ylpyridazin-3-one is CCCCn1nc(-c2ccncc2)c(C(C)=O)c(N)c1=O.
What is the InChIKey of 5-acetyl-4-amino-2-butyl-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is MKIYQJKTYNZSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-4-9-19-15(21)13(16)12(10(2)20)14(18-19)11-5-7-17-8-6-11/h5-8H,3-4,9,16H2,1-2H3.
What are the key properties of 5-acetyl-4-amino-2-butyl-6-pyridin-4-ylpyridazin-3-one?
5-acetyl-4-amino-2-butyl-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 286.34 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-amino-2-butyl-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 16755889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).