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

C15H24N4O — CID 103221791

IUPAC5-(cyclopropylmethylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one
SMILESO=c1cc(NCC2CC2)cnn1CCCN1CCCC1
InChIInChI=1S/C15H24N4O/c20-15-10-14(16-11-13-4-5-13)12-17-19(15)9-3-8-18-6-1-2-7-18/h10,12-13,16H,1-9,11H2
InChIKeyWTHJVNLYWFHTBK-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.55
Rot. Bonds7

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

5-(cyclopropylmethylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one (PubChem CID 103221791) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-(cyclopropylmethylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclopropylmethylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one
PubChem CID103221791
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name5-(cyclopropylmethylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one
SMILESO=c1cc(NCC2CC2)cnn1CCCN1CCCC1
InChIInChI=1S/C15H24N4O/c20-15-10-14(16-11-13-4-5-13)12-17-19(15)9-3-8-18-6-1-2-7-18/h10,12-13,16H,1-9,11H2
InChIKeyWTHJVNLYWFHTBK-UHFFFAOYSA-N
XLogP1.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-methyl-N'-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}sulfamide
CID 70768852
1-[1-(cyclopropylmethyl)-6-oxo-1,6-dihydro-4-pyridazinyl]-N-[2-(1-pyrrolidinyl)ethyl]-3-pyrrolidinecarboxamide
CID 91920243
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~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
(3S)-N-cyclopentyl-1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carboxamide
CID 164631857
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 103366652
5-Pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397403
5-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpyridazin-3-one
CID 129514099
N-(6-oxo-1H-pyridazin-4-yl)acetamide;1-pyrrolidin-1-ylethanone
CID 171811048
5-(4-methyl-1,4-diazepan-1-yl)-2-[[(3R)-pyrrolidin-3-yl]methyl]pyridazin-3-one
CID 29022847

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one?
The IUPAC name of 5-(cyclopropylmethylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one (CID 103221791) is 5-(cyclopropylmethylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-(cyclopropylmethylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one?
The canonical SMILES for 5-(cyclopropylmethylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one is O=c1cc(NCC2CC2)cnn1CCCN1CCCC1.
What is the InChIKey of 5-(cyclopropylmethylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one?
The InChIKey is WTHJVNLYWFHTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c20-15-10-14(16-11-13-4-5-13)12-17-19(15)9-3-8-18-6-1-2-7-18/h10,12-13,16H,1-9,11H2.
What are the key properties of 5-(cyclopropylmethylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one?
5-(cyclopropylmethylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one has a molecular weight of 276.38 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one is sourced from PubChem (CID 103221791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).