5-(2-aminoethylamino)-2-[2-(diethylamino)ethyl]pyridazin-3-one

C12H23N5O — CID 103221065

IUPAC5-(2-aminoethylamino)-2-[2-(diethylamino)ethyl]pyridazin-3-one
SMILESCCN(CC)CCn1ncc(NCCN)cc1=O
InChIInChI=1S/C12H23N5O/c1-3-16(4-2)7-8-17-12(18)9-11(10-15-17)14-6-5-13/h9-10,14H,3-8,13H2,1-2H3
InChIKeyAONTWTOGJXZYCN-UHFFFAOYSA-N
MW253.35 g/mol
LogP-0.04
Rot. Bonds8

About 5-(2-aminoethylamino)-2-[2-(diethylamino)ethyl]pyridazin-3-one

5-(2-aminoethylamino)-2-[2-(diethylamino)ethyl]pyridazin-3-one (PubChem CID 103221065) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-(2-aminoethylamino)-2-[2-(diethylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethylamino)-2-[2-(diethylamino)ethyl]pyridazin-3-one
PubChem CID103221065
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name5-(2-aminoethylamino)-2-[2-(diethylamino)ethyl]pyridazin-3-one
SMILESCCN(CC)CCn1ncc(NCCN)cc1=O
InChIInChI=1S/C12H23N5O/c1-3-16(4-2)7-8-17-12(18)9-11(10-15-17)14-6-5-13/h9-10,14H,3-8,13H2,1-2H3
InChIKeyAONTWTOGJXZYCN-UHFFFAOYSA-N
XLogP-0.04
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(cyclobutylamino)-2-[2-(diethylamino)ethyl]pyridazin-3-one
CID 103220509
5-(2-aminoethylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one
CID 103220996
2-[2-(dimethylamino)ethyl]-5-(ethylamino)pyridazin-3-one
CID 103219051
5-(2-aminoethylamino)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridazin-3-one
CID 103221302
2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 103221101
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-[(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
2-butyl-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223613
2-(3-hydroxy-3-methylbutyl)-5-(propylamino)pyridazin-3-one
CID 103220306

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethylamino)-2-[2-(diethylamino)ethyl]pyridazin-3-one?
The IUPAC name of 5-(2-aminoethylamino)-2-[2-(diethylamino)ethyl]pyridazin-3-one (CID 103221065) is 5-(2-aminoethylamino)-2-[2-(diethylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethylamino)-2-[2-(diethylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethylamino)-2-[2-(diethylamino)ethyl]pyridazin-3-one is CCN(CC)CCn1ncc(NCCN)cc1=O.
What is the InChIKey of 5-(2-aminoethylamino)-2-[2-(diethylamino)ethyl]pyridazin-3-one?
The InChIKey is AONTWTOGJXZYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-3-16(4-2)7-8-17-12(18)9-11(10-15-17)14-6-5-13/h9-10,14H,3-8,13H2,1-2H3.
What are the key properties of 5-(2-aminoethylamino)-2-[2-(diethylamino)ethyl]pyridazin-3-one?
5-(2-aminoethylamino)-2-[2-(diethylamino)ethyl]pyridazin-3-one has a molecular weight of 253.35 g/mol, XLogP of -0.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethylamino)-2-[2-(diethylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 103221065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).