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

C12H20N4O — CID 103218504

IUPAC5-(methylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one
SMILESCNc1cnn(CCCN2CCCC2)c(=O)c1
InChIInChI=1S/C12H20N4O/c1-13-11-9-12(17)16(14-10-11)8-4-7-15-5-2-3-6-15/h9-10,13H,2-8H2,1H3
InChIKeyHPWHDEOJFMAHKF-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.77
Rot. Bonds5

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

5-(methylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one (PubChem CID 103218504) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-(methylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(methylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one
PubChem CID103218504
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name5-(methylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one
SMILESCNc1cnn(CCCN2CCCC2)c(=O)c1
InChIInChI=1S/C12H20N4O/c1-13-11-9-12(17)16(14-10-11)8-4-7-15-5-2-3-6-15/h9-10,13H,2-8H2,1H3
InChIKeyHPWHDEOJFMAHKF-UHFFFAOYSA-N
XLogP0.77
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Pyrrolidin-1-yl)-2,3-dihydropyridazin-3-one
CID 28065109
N-ethyl-N-methyl-N'-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}sulfamide
CID 70768852
N-[3-[bis(2-methylpropyl)amino]propyl]-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide
CID 91920262
N-(cyclopropylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide
CID 110196819
N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide
CID 110876546
N~1~-[1-(1-Ethyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidyl]propanamide
CID 110876551
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
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
5-Pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397403
5-[3-Diethylaminopropylamino]-3(2H)-pyridazone
CID 559590

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one?
The IUPAC name of 5-(methylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one (CID 103218504) is 5-(methylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-(methylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one?
The canonical SMILES for 5-(methylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one is CNc1cnn(CCCN2CCCC2)c(=O)c1.
What is the InChIKey of 5-(methylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one?
The InChIKey is HPWHDEOJFMAHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-13-11-9-12(17)16(14-10-11)8-4-7-15-5-2-3-6-15/h9-10,13H,2-8H2,1H3.
What are the key properties of 5-(methylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one?
5-(methylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one has a molecular weight of 236.32 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one is sourced from PubChem (CID 103218504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).