5-(2-aminoethylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one

C13H20N6O — CID 103220996

IUPAC5-(2-aminoethylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one
SMILESCCc1cc(Cn2ncc(NCCN)cc2=O)n(C)n1
InChIInChI=1S/C13H20N6O/c1-3-10-6-12(18(2)17-10)9-19-13(20)7-11(8-16-19)15-5-4-14/h6-8,15H,3-5,9,14H2,1-2H3
InChIKeyVHLKTLLEEXMHBQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP-0.04
Rot. Bonds6

About 5-(2-aminoethylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one

5-(2-aminoethylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one (PubChem CID 103220996) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-(2-aminoethylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one
PubChem CID103220996
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name5-(2-aminoethylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one
SMILESCCc1cc(Cn2ncc(NCCN)cc2=O)n(C)n1
InChIInChI=1S/C13H20N6O/c1-3-10-6-12(18(2)17-10)9-19-13(20)7-11(8-16-19)15-5-4-14/h6-8,15H,3-5,9,14H2,1-2H3
InChIKeyVHLKTLLEEXMHBQ-UHFFFAOYSA-N
XLogP-0.04
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220089
5-(cyclopropylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one
CID 103219677
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-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridazin-3-one
CID 103221139
5-(2-aminoethylamino)-2-(pyrimidin-2-ylmethyl)pyridazin-3-one
CID 103221268
5-(2-aminoethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
CID 103221159
2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220377
2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 103221101
5-(2-aminoethylamino)-2-[(4-chloro-2-fluorophenyl)methyl]pyridazin-3-one
CID 103221049
5-(2-aminoethylamino)-2-[(2-chlorophenyl)methyl]pyridazin-3-one
CID 103220968
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methyl-1,2,4-triazol-3-one
CID 116626760

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-(2-aminoethylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one (CID 103220996) is 5-(2-aminoethylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one is CCc1cc(Cn2ncc(NCCN)cc2=O)n(C)n1.
What is the InChIKey of 5-(2-aminoethylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one?
The InChIKey is VHLKTLLEEXMHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-3-10-6-12(18(2)17-10)9-19-13(20)7-11(8-16-19)15-5-4-14/h6-8,15H,3-5,9,14H2,1-2H3.
What are the key properties of 5-(2-aminoethylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one?
5-(2-aminoethylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one has a molecular weight of 276.34 g/mol, XLogP of -0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 103220996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).