5-(2-aminoethylamino)-2-(cyclopentylmethyl)pyridazin-3-one

C12H20N4O — CID 103221122

IUPAC5-(2-aminoethylamino)-2-(cyclopentylmethyl)pyridazin-3-one
SMILESNCCNc1cnn(CC2CCCC2)c(=O)c1
InChIInChI=1S/C12H20N4O/c13-5-6-14-11-7-12(17)16(15-8-11)9-10-3-1-2-4-10/h7-8,10,14H,1-6,9,13H2
InChIKeySHEGRGDIVGGQEW-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.80
Rot. Bonds5

About 5-(2-aminoethylamino)-2-(cyclopentylmethyl)pyridazin-3-one

5-(2-aminoethylamino)-2-(cyclopentylmethyl)pyridazin-3-one (PubChem CID 103221122) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-(2-aminoethylamino)-2-(cyclopentylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethylamino)-2-(cyclopentylmethyl)pyridazin-3-one
PubChem CID103221122
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name5-(2-aminoethylamino)-2-(cyclopentylmethyl)pyridazin-3-one
SMILESNCCNc1cnn(CC2CCCC2)c(=O)c1
InChIInChI=1S/C12H20N4O/c13-5-6-14-11-7-12(17)16(15-8-11)9-10-3-1-2-4-10/h7-8,10,14H,1-6,9,13H2
InChIKeySHEGRGDIVGGQEW-UHFFFAOYSA-N
XLogP0.80
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethylamino)-2-(cyclopentylmethyl)pyridazin-3-one?
The IUPAC name of 5-(2-aminoethylamino)-2-(cyclopentylmethyl)pyridazin-3-one (CID 103221122) is 5-(2-aminoethylamino)-2-(cyclopentylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethylamino)-2-(cyclopentylmethyl)pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethylamino)-2-(cyclopentylmethyl)pyridazin-3-one is NCCNc1cnn(CC2CCCC2)c(=O)c1.
What is the InChIKey of 5-(2-aminoethylamino)-2-(cyclopentylmethyl)pyridazin-3-one?
The InChIKey is SHEGRGDIVGGQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c13-5-6-14-11-7-12(17)16(15-8-11)9-10-3-1-2-4-10/h7-8,10,14H,1-6,9,13H2.
What are the key properties of 5-(2-aminoethylamino)-2-(cyclopentylmethyl)pyridazin-3-one?
5-(2-aminoethylamino)-2-(cyclopentylmethyl)pyridazin-3-one has a molecular weight of 236.32 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethylamino)-2-(cyclopentylmethyl)pyridazin-3-one is sourced from PubChem (CID 103221122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).