2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-(dimethylamino)pyridazin-3-one

C12H20N4O — CID 114393685

IUPAC2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(CC2(CCN)CC2)c(=O)c1
InChIInChI=1S/C12H20N4O/c1-15(2)10-7-11(17)16(14-8-10)9-12(3-4-12)5-6-13/h7-8H,3-6,9,13H2,1-2H3
InChIKeyKNSNIYSKKGCADF-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.44
Rot. Bonds5

About 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-(dimethylamino)pyridazin-3-one

2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-(dimethylamino)pyridazin-3-one (PubChem CID 114393685) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-(dimethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-(dimethylamino)pyridazin-3-one
PubChem CID114393685
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(CC2(CCN)CC2)c(=O)c1
InChIInChI=1S/C12H20N4O/c1-15(2)10-7-11(17)16(14-8-10)9-12(3-4-12)5-6-13/h7-8H,3-6,9,13H2,1-2H3
InChIKeyKNSNIYSKKGCADF-UHFFFAOYSA-N
XLogP0.44
TPSA64.15 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 ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202100
"N-{1-[1-(cyclopropylmethyl)-6-oxo-1,6-dihydro-4-pyridazinyl]-4-piperidyl}-2,2-dimethylbutanamide"
CID 91911844
N-{1-[1-(Cyclopropylmethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}-3,3-dimethylbutanamide
CID 91924074
5-[4-(aminomethyl)piperidin-1-yl]-2-(cyclobutylmethyl)pyridazin-3(2H)-one
CID 72900645
5-(3,9-Diazaspiro[5.5]undecan-3-yl)-2-methylpyridazin-3-one
CID 121313999
5-[4-(aminomethyl)-1-piperidinyl]-2-pentyl-3(2H)-pyridazinone trifluoroacetate
CID 28311411
2,2-dimethyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}butanamide
CID 70761647
2-[2-[(Cyclopropylamino)methyl]prop-2-enyl]-5-(dimethylamino)pyridazin-3-one
CID 103073054
2-[2-[(Cyclopropylamino)methyl]prop-2-enyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 103073080
2-[2-[(Cyclopropylamino)methyl]prop-2-enyl]-5-(diethylamino)pyridazin-3-one
CID 103073086
2-[2-(Aminomethyl)prop-2-enyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one
CID 103073087
2-[2-[(Cyclopropylamino)methyl]prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 103073096

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-(dimethylamino)pyridazin-3-one?
The IUPAC name of 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-(dimethylamino)pyridazin-3-one (CID 114393685) is 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-(dimethylamino)pyridazin-3-one.
What is the SMILES notation for 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-(dimethylamino)pyridazin-3-one?
The canonical SMILES for 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-(dimethylamino)pyridazin-3-one is CN(C)c1cnn(CC2(CCN)CC2)c(=O)c1.
What is the InChIKey of 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-(dimethylamino)pyridazin-3-one?
The InChIKey is KNSNIYSKKGCADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-15(2)10-7-11(17)16(14-8-10)9-12(3-4-12)5-6-13/h7-8H,3-6,9,13H2,1-2H3.
What are the key properties of 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-(dimethylamino)pyridazin-3-one?
2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-(dimethylamino)pyridazin-3-one has a molecular weight of 236.32 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-(dimethylamino)pyridazin-3-one is sourced from PubChem (CID 114393685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).