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

C16H28N4O — CID 114397665

IUPAC2-[2-(cyclopentylmethylamino)ethyl]-5-(diethylamino)pyridazin-3-one
SMILESCCN(CC)c1cnn(CCNCC2CCCC2)c(=O)c1
InChIInChI=1S/C16H28N4O/c1-3-19(4-2)15-11-16(21)20(18-13-15)10-9-17-12-14-7-5-6-8-14/h11,13-14,17H,3-10,12H2,1-2H3
InChIKeyIVMZRZALHTWKRS-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.87
Rot. Bonds8

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

2-[2-(cyclopentylmethylamino)ethyl]-5-(diethylamino)pyridazin-3-one (PubChem CID 114397665) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-[2-(cyclopentylmethylamino)ethyl]-5-(diethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(cyclopentylmethylamino)ethyl]-5-(diethylamino)pyridazin-3-one
PubChem CID114397665
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-[2-(cyclopentylmethylamino)ethyl]-5-(diethylamino)pyridazin-3-one
SMILESCCN(CC)c1cnn(CCNCC2CCCC2)c(=O)c1
InChIInChI=1S/C16H28N4O/c1-3-19(4-2)15-11-16(21)20(18-13-15)10-9-17-12-14-7-5-6-8-14/h11,13-14,17H,3-10,12H2,1-2H3
InChIKeyIVMZRZALHTWKRS-UHFFFAOYSA-N
XLogP1.87
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(diethylamino)-2-[2-(oxolan-2-ylmethylamino)ethyl]pyridazin-3-one
CID 114397695
2-[2-(cyclopropylamino)ethyl]-5-(diethylamino)pyridazin-3-one
CID 114394906
5-(diethylamino)-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397680
5-(diethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one
CID 114397688
2-(2-cyclohexyl-2-hydroxyethyl)-5-(diethylamino)pyridazin-3-one
CID 114397134
5-(diethylamino)-2-[2-(pentan-3-ylamino)ethyl]pyridazin-3-one
CID 114397706
5-(diethylamino)-2-[3-(propylamino)propyl]pyridazin-3-one
CID 114394971
5-(diethylamino)-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one
CID 114394941
5-(diethylamino)-2-(2-sulfanylethyl)pyridazin-3-one
CID 114399061
5-(dimethylamino)-2-[2-(ethylamino)ethyl]pyridazin-3-one
CID 114394588
2-(4-chlorobutyl)-5-(diethylamino)pyridazin-3-one
CID 114394352
5-(diethylamino)-2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one
CID 114395947

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylmethylamino)ethyl]-5-(diethylamino)pyridazin-3-one?
The IUPAC name of 2-[2-(cyclopentylmethylamino)ethyl]-5-(diethylamino)pyridazin-3-one (CID 114397665) is 2-[2-(cyclopentylmethylamino)ethyl]-5-(diethylamino)pyridazin-3-one.
What is the SMILES notation for 2-[2-(cyclopentylmethylamino)ethyl]-5-(diethylamino)pyridazin-3-one?
The canonical SMILES for 2-[2-(cyclopentylmethylamino)ethyl]-5-(diethylamino)pyridazin-3-one is CCN(CC)c1cnn(CCNCC2CCCC2)c(=O)c1.
What is the InChIKey of 2-[2-(cyclopentylmethylamino)ethyl]-5-(diethylamino)pyridazin-3-one?
The InChIKey is IVMZRZALHTWKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-3-19(4-2)15-11-16(21)20(18-13-15)10-9-17-12-14-7-5-6-8-14/h11,13-14,17H,3-10,12H2,1-2H3.
What are the key properties of 2-[2-(cyclopentylmethylamino)ethyl]-5-(diethylamino)pyridazin-3-one?
2-[2-(cyclopentylmethylamino)ethyl]-5-(diethylamino)pyridazin-3-one has a molecular weight of 292.43 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylmethylamino)ethyl]-5-(diethylamino)pyridazin-3-one is sourced from PubChem (CID 114397665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).