5-(2-aminoethylamino)-2-(pyrimidin-2-ylmethyl)pyridazin-3-one

C11H14N6O — CID 103221268

IUPAC5-(2-aminoethylamino)-2-(pyrimidin-2-ylmethyl)pyridazin-3-one
SMILESNCCNc1cnn(Cc2ncccn2)c(=O)c1
InChIInChI=1S/C11H14N6O/c12-2-5-13-9-6-11(18)17(16-7-9)8-10-14-3-1-4-15-10/h1,3-4,6-7,13H,2,5,8,12H2
InChIKeyYBWVQZIZSNSKHA-UHFFFAOYSA-N
MW246.27 g/mol
LogP-0.55
Rot. Bonds5

About 5-(2-aminoethylamino)-2-(pyrimidin-2-ylmethyl)pyridazin-3-one

5-(2-aminoethylamino)-2-(pyrimidin-2-ylmethyl)pyridazin-3-one (PubChem CID 103221268) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-(2-aminoethylamino)-2-(pyrimidin-2-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethylamino)-2-(pyrimidin-2-ylmethyl)pyridazin-3-one
PubChem CID103221268
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name5-(2-aminoethylamino)-2-(pyrimidin-2-ylmethyl)pyridazin-3-one
SMILESNCCNc1cnn(Cc2ncccn2)c(=O)c1
InChIInChI=1S/C11H14N6O/c12-2-5-13-9-6-11(18)17(16-7-9)8-10-14-3-1-4-15-10/h1,3-4,6-7,13H,2,5,8,12H2
InChIKeyYBWVQZIZSNSKHA-UHFFFAOYSA-N
XLogP-0.55
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-aminoethylamino)-2-[(2-chlorophenyl)methyl]pyridazin-3-one
CID 103220968
5-(2-aminoethylamino)-2-[(4-chloro-2-fluorophenyl)methyl]pyridazin-3-one
CID 103221049
5-(2-aminoethylamino)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridazin-3-one
CID 103221302
5-(2-aminoethylamino)-2-[(1-ethylpyrazol-4-yl)methyl]pyridazin-3-one
CID 103221289
5-(2-aminoethylamino)-2-(3-phenylpropyl)pyridazin-3-one
CID 103221075
5-(2-aminoethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
CID 103221159
5-(2-aminoethylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one
CID 103220996
5-(2-aminoethylamino)-2-[2-(diethylamino)ethyl]pyridazin-3-one
CID 103221065
5-(2-aminoethylamino)-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridazin-3-one
CID 103221139
3-[[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]methyl]-4-fluorobenzonitrile
CID 103221255
2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 103221101
5-(2-aminoethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
CID 103221223

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethylamino)-2-(pyrimidin-2-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-(2-aminoethylamino)-2-(pyrimidin-2-ylmethyl)pyridazin-3-one (CID 103221268) is 5-(2-aminoethylamino)-2-(pyrimidin-2-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethylamino)-2-(pyrimidin-2-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethylamino)-2-(pyrimidin-2-ylmethyl)pyridazin-3-one is NCCNc1cnn(Cc2ncccn2)c(=O)c1.
What is the InChIKey of 5-(2-aminoethylamino)-2-(pyrimidin-2-ylmethyl)pyridazin-3-one?
The InChIKey is YBWVQZIZSNSKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c12-2-5-13-9-6-11(18)17(16-7-9)8-10-14-3-1-4-15-10/h1,3-4,6-7,13H,2,5,8,12H2.
What are the key properties of 5-(2-aminoethylamino)-2-(pyrimidin-2-ylmethyl)pyridazin-3-one?
5-(2-aminoethylamino)-2-(pyrimidin-2-ylmethyl)pyridazin-3-one has a molecular weight of 246.27 g/mol, XLogP of -0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethylamino)-2-(pyrimidin-2-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 103221268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).