2-[2-(cyclopentylmethylamino)ethyl]pyridazin-3-one

C12H19N3O — CID 62850515

IUPAC2-[2-(cyclopentylmethylamino)ethyl]pyridazin-3-one
SMILESO=c1cccnn1CCNCC1CCCC1
InChIInChI=1S/C12H19N3O/c16-12-6-3-7-14-15(12)9-8-13-10-11-4-1-2-5-11/h3,6-7,11,13H,1-2,4-5,8-10H2
InChIKeyLTLYMIUPKOBKQM-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.02
Rot. Bonds5

About 2-[2-(cyclopentylmethylamino)ethyl]pyridazin-3-one

2-[2-(cyclopentylmethylamino)ethyl]pyridazin-3-one (PubChem CID 62850515) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[2-(cyclopentylmethylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(cyclopentylmethylamino)ethyl]pyridazin-3-one
PubChem CID62850515
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[2-(cyclopentylmethylamino)ethyl]pyridazin-3-one
SMILESO=c1cccnn1CCNCC1CCCC1
InChIInChI=1S/C12H19N3O/c16-12-6-3-7-14-15(12)9-8-13-10-11-4-1-2-5-11/h3,6-7,11,13H,1-2,4-5,8-10H2
InChIKeyLTLYMIUPKOBKQM-UHFFFAOYSA-N
XLogP1.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylmethylamino)ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-(cyclopentylmethylamino)ethyl]pyridazin-3-one (CID 62850515) is 2-[2-(cyclopentylmethylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-(cyclopentylmethylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-(cyclopentylmethylamino)ethyl]pyridazin-3-one is O=c1cccnn1CCNCC1CCCC1.
What is the InChIKey of 2-[2-(cyclopentylmethylamino)ethyl]pyridazin-3-one?
The InChIKey is LTLYMIUPKOBKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c16-12-6-3-7-14-15(12)9-8-13-10-11-4-1-2-5-11/h3,6-7,11,13H,1-2,4-5,8-10H2.
What are the key properties of 2-[2-(cyclopentylmethylamino)ethyl]pyridazin-3-one?
2-[2-(cyclopentylmethylamino)ethyl]pyridazin-3-one has a molecular weight of 221.30 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylmethylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 62850515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).