2-[4-(ethylamino)hexyl]-5-pyrrolidin-1-ylpyridazin-3-one

C16H28N4O — CID 106800588

IUPAC2-[4-(ethylamino)hexyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCCNC(CC)CCCn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C16H28N4O/c1-3-14(17-4-2)8-7-11-20-16(21)12-15(13-18-20)19-9-5-6-10-19/h12-14,17H,3-11H2,1-2H3
InChIKeyKNGWNVYUGCPBRM-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.01
Rot. Bonds8

About 2-[4-(ethylamino)hexyl]-5-pyrrolidin-1-ylpyridazin-3-one

2-[4-(ethylamino)hexyl]-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 106800588) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-[4-(ethylamino)hexyl]-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[4-(ethylamino)hexyl]-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID106800588
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-[4-(ethylamino)hexyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCCNC(CC)CCCn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C16H28N4O/c1-3-14(17-4-2)8-7-11-20-16(21)12-15(13-18-20)19-9-5-6-10-19/h12-14,17H,3-11H2,1-2H3
InChIKeyKNGWNVYUGCPBRM-UHFFFAOYSA-N
XLogP2.01
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-cyclooctyl-2-[4-(dimethylamino)-6-oxopyridazin-1(6H)-yl]acetamide
CID 72902728
5-(dimethylamino)-2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]pyridazin-3-one
CID 97188705
(2S)-N-cyclohexyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanamide
CID 97210160
Sdccgsbi-0115093.P001
CID 45250840
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
1-cyclopentyl-3-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea
CID 31225371
1-cyclopentyl-3-[[(3R)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea
CID 31225373
3-[4-[3-(aminomethyl)-1-pyrrolidinyl]-6-oxo-1(6H)-pyridazinyl]-N-isopropylpropanamide
CID 56892430
N~3~-isopropyl-N~3~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-beta-alaninamide
CID 70717449

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylamino)hexyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[4-(ethylamino)hexyl]-5-pyrrolidin-1-ylpyridazin-3-one (CID 106800588) is 2-[4-(ethylamino)hexyl]-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[4-(ethylamino)hexyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[4-(ethylamino)hexyl]-5-pyrrolidin-1-ylpyridazin-3-one is CCNC(CC)CCCn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of 2-[4-(ethylamino)hexyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is KNGWNVYUGCPBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-3-14(17-4-2)8-7-11-20-16(21)12-15(13-18-20)19-9-5-6-10-19/h12-14,17H,3-11H2,1-2H3.
What are the key properties of 2-[4-(ethylamino)hexyl]-5-pyrrolidin-1-ylpyridazin-3-one?
2-[4-(ethylamino)hexyl]-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 292.43 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylamino)hexyl]-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 106800588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).