2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-piperidin-1-ylpyridazin-3-one

C15H24N4O — CID 114393709

IUPAC2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-piperidin-1-ylpyridazin-3-one
SMILESNCCC1(Cn2ncc(N3CCCCC3)cc2=O)CC1
InChIInChI=1S/C15H24N4O/c16-7-6-15(4-5-15)12-19-14(20)10-13(11-17-19)18-8-2-1-3-9-18/h10-11H,1-9,12,16H2
InChIKeyRREUYIIBHJEPBJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.36
Rot. Bonds5

About 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-piperidin-1-ylpyridazin-3-one

2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-piperidin-1-ylpyridazin-3-one (PubChem CID 114393709) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-piperidin-1-ylpyridazin-3-one
PubChem CID114393709
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-piperidin-1-ylpyridazin-3-one
SMILESNCCC1(Cn2ncc(N3CCCCC3)cc2=O)CC1
InChIInChI=1S/C15H24N4O/c16-7-6-15(4-5-15)12-19-14(20)10-13(11-17-19)18-8-2-1-3-9-18/h10-11H,1-9,12,16H2
InChIKeyRREUYIIBHJEPBJ-UHFFFAOYSA-N
XLogP1.36
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202079
N-cyclopropyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202100
N-(3-methylbutyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202143
N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202150
N-cyclopropyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202178
N-(2-Methylpropyl)-1-(6-oxo-1-propyl-1,6-dihydropyridazin-4-YL)piperidine-4-carboxamide
CID 53202197
N-butyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202213
"N-{1-[1-(cyclopropylmethyl)-6-oxo-1,6-dihydro-4-pyridazinyl]-4-piperidyl}-2,2-dimethylbutanamide"
CID 91911844
3,3-Dimethyl-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]butanamide
CID 91924031
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]-3,3-dimethylbutanamide
CID 91924056
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]-2,2-dimethylbutanamide
CID 91924060
N-[1-(1-ethyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidyl]-2,2-dimethylpropanamide
CID 91924064

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-piperidin-1-ylpyridazin-3-one (CID 114393709) is 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-piperidin-1-ylpyridazin-3-one is NCCC1(Cn2ncc(N3CCCCC3)cc2=O)CC1.
What is the InChIKey of 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is RREUYIIBHJEPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c16-7-6-15(4-5-15)12-19-14(20)10-13(11-17-19)18-8-2-1-3-9-18/h10-11H,1-9,12,16H2.
What are the key properties of 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-piperidin-1-ylpyridazin-3-one?
2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 276.38 g/mol, XLogP of 1.36, 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-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 114393709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).