2-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-(methylamino)pyridazin-3-one

C13H19N5O — CID 103218683

IUPAC2-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-(methylamino)pyridazin-3-one
SMILESCCC(C)n1ccc(Cn2ncc(NC)cc2=O)n1
InChIInChI=1S/C13H19N5O/c1-4-10(2)17-6-5-11(16-17)9-18-13(19)7-12(14-3)8-15-18/h5-8,10,14H,4,9H2,1-3H3
InChIKeyHYXIHTOWNTYWCR-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.50
Rot. Bonds5

About 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-(methylamino)pyridazin-3-one

2-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-(methylamino)pyridazin-3-one (PubChem CID 103218683) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-(methylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-(methylamino)pyridazin-3-one
PubChem CID103218683
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-(methylamino)pyridazin-3-one
SMILESCCC(C)n1ccc(Cn2ncc(NC)cc2=O)n1
InChIInChI=1S/C13H19N5O/c1-4-10(2)17-6-5-11(16-17)9-18-13(19)7-12(14-3)8-15-18/h5-8,10,14H,4,9H2,1-3H3
InChIKeyHYXIHTOWNTYWCR-UHFFFAOYSA-N
XLogP1.50
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-(methylamino)pyridazin-3-one?
The IUPAC name of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-(methylamino)pyridazin-3-one (CID 103218683) is 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-(methylamino)pyridazin-3-one.
What is the SMILES notation for 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-(methylamino)pyridazin-3-one?
The canonical SMILES for 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-(methylamino)pyridazin-3-one is CCC(C)n1ccc(Cn2ncc(NC)cc2=O)n1.
What is the InChIKey of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-(methylamino)pyridazin-3-one?
The InChIKey is HYXIHTOWNTYWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-10(2)17-6-5-11(16-17)9-18-13(19)7-12(14-3)8-15-18/h5-8,10,14H,4,9H2,1-3H3.
What are the key properties of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-(methylamino)pyridazin-3-one?
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-(methylamino)pyridazin-3-one has a molecular weight of 261.33 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-(methylamino)pyridazin-3-one is sourced from PubChem (CID 103218683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).