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

C14H22N4O — CID 114393669

IUPAC2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESNCCC1(Cn2ncc(N3CCCC3)cc2=O)CC1
InChIInChI=1S/C14H22N4O/c15-6-5-14(3-4-14)11-18-13(19)9-12(10-16-18)17-7-1-2-8-17/h9-10H,1-8,11,15H2
InChIKeyWUMSMWSGQQXMJE-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.97
Rot. Bonds5

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

2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 114393669) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID114393669
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESNCCC1(Cn2ncc(N3CCCC3)cc2=O)CC1
InChIInChI=1S/C14H22N4O/c15-6-5-14(3-4-14)11-18-13(19)9-12(10-16-18)17-7-1-2-8-17/h9-10H,1-8,11,15H2
InChIKeyWUMSMWSGQQXMJE-UHFFFAOYSA-N
XLogP0.97
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylcyclopropyl)-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}propanamide
CID 70755397
2,2,3,3-tetramethyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}cyclopropanecarboxamide
CID 70756374
3-(1-methylcyclopropyl)-N-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide
CID 96399083
3-(1-methylcyclopropyl)-N-[[(3R)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide
CID 96399084
2,2,3,3-tetramethyl-N-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 96399639
2,2,3,3-tetramethyl-N-[[(3R)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 96399641
2-[2-[(Cyclopropylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 103073048
5-Amino-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one
CID 103218227
5-(Cyclopropylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one
CID 103219722
5-(Cyclopropylamino)-2-(3,3-dimethylbutyl)pyridazin-3-one
CID 103219835
5-(Cyclopropylmethylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one
CID 103221791
2-(Cyclopentylmethyl)-5-(cyclopropylmethylamino)pyridazin-3-one
CID 103221852

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-pyrrolidin-1-ylpyridazin-3-one (CID 114393669) is 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-pyrrolidin-1-ylpyridazin-3-one is NCCC1(Cn2ncc(N3CCCC3)cc2=O)CC1.
What is the InChIKey of 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is WUMSMWSGQQXMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c15-6-5-14(3-4-14)11-18-13(19)9-12(10-16-18)17-7-1-2-8-17/h9-10H,1-8,11,15H2.
What are the key properties of 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-pyrrolidin-1-ylpyridazin-3-one?
2-[[1-(2-aminoethyl)cyclopropyl]methyl]-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 262.36 g/mol, XLogP of 0.97, 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-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 114393669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).