5-[2-(methylamino)ethylamino]-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one

C14H25N5O — CID 103223576

IUPAC5-[2-(methylamino)ethylamino]-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one
SMILESCNCCNc1cnn(CCCN2CCCC2)c(=O)c1
InChIInChI=1S/C14H25N5O/c1-15-5-6-16-13-11-14(20)19(17-12-13)10-4-9-18-7-2-3-8-18/h11-12,15-16H,2-10H2,1H3
InChIKeyKWPJFQXZNHUNFT-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.36
Rot. Bonds8

About 5-[2-(methylamino)ethylamino]-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one

5-[2-(methylamino)ethylamino]-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one (PubChem CID 103223576) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 5-[2-(methylamino)ethylamino]-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[2-(methylamino)ethylamino]-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one
PubChem CID103223576
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name5-[2-(methylamino)ethylamino]-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one
SMILESCNCCNc1cnn(CCCN2CCCC2)c(=O)c1
InChIInChI=1S/C14H25N5O/c1-15-5-6-16-13-11-14(20)19(17-12-13)10-4-9-18-7-2-3-8-18/h11-12,15-16H,2-10H2,1H3
InChIKeyKWPJFQXZNHUNFT-UHFFFAOYSA-N
XLogP0.36
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}glycinamide
CID 70761816
5-pyrrolidin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3(2H)-one
CID 72876309
5-(dimethylamino)-2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]pyridazin-3-one
CID 97188705
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 103366652
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114393459
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114393631
5-Pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397403
5-[Ethyl(methyl)amino]-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397615
5-(Diethylamino)-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397680
5-[Methyl(propyl)amino]-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397731
5-[3-Diethylaminopropylamino]-3(2H)-pyridazone
CID 559590
5-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpyridazin-3-one
CID 129514099

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylamino)ethylamino]-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one?
The IUPAC name of 5-[2-(methylamino)ethylamino]-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one (CID 103223576) is 5-[2-(methylamino)ethylamino]-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-[2-(methylamino)ethylamino]-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one?
The canonical SMILES for 5-[2-(methylamino)ethylamino]-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one is CNCCNc1cnn(CCCN2CCCC2)c(=O)c1.
What is the InChIKey of 5-[2-(methylamino)ethylamino]-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one?
The InChIKey is KWPJFQXZNHUNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-15-5-6-16-13-11-14(20)19(17-12-13)10-4-9-18-7-2-3-8-18/h11-12,15-16H,2-10H2,1H3.
What are the key properties of 5-[2-(methylamino)ethylamino]-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one?
5-[2-(methylamino)ethylamino]-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one has a molecular weight of 279.39 g/mol, XLogP of 0.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)ethylamino]-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one is sourced from PubChem (CID 103223576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).