2-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one

C17H25N5O3 — CID 72908696

IUPAC2-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCC(=O)N1CCCN(C(=O)Cn2ncc(N3CCCC3)cc2=O)CC1
InChIInChI=1S/C17H25N5O3/c1-14(23)19-7-4-8-21(10-9-19)17(25)13-22-16(24)11-15(12-18-22)20-5-2-3-6-20/h11-12H,2-10,13H2,1H3
InChIKeyCWOHBOHZJHKZJV-UHFFFAOYSA-N
MW347.42 g/mol
LogP-0.08
Rot. Bonds3

About 2-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one

2-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 72908696) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID72908696
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name2-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCC(=O)N1CCCN(C(=O)Cn2ncc(N3CCCC3)cc2=O)CC1
InChIInChI=1S/C17H25N5O3/c1-14(23)19-7-4-8-21(10-9-19)17(25)13-22-16(24)11-15(12-18-22)20-5-2-3-6-20/h11-12H,2-10,13H2,1H3
InChIKeyCWOHBOHZJHKZJV-UHFFFAOYSA-N
XLogP-0.08
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one with MolForge

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Related Compounds

2-(2-azepan-1-yl-2-oxoethyl)-5-(dimethylamino)pyridazin-3(2H)-one
CID 72906941
5-(dimethylamino)-2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]pyridazin-3-one
CID 97188705
5-(4-methyl-1-piperazinyl)-2-[3-oxo-3-(1-pyrrolidinyl)propyl]-3(2H)-pyridazinone
CID 28357548
2-[2-(2,5-Dihydropyrrol-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 28097404
2-[4-(4-Methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]propanamide
CID 56887383
2-(4-methyl-1,4-diazepan-1-yl)-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}acetamide
CID 70726818
N~2~-isopropyl-N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}glycinamide
CID 70730789
2-methyl-N-[2-({[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}amino)-2-oxoethyl]propanamide
CID 70748006
N~2~,N~2~-diethyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}glycinamide
CID 70750031
2-[2-(2-methyl-1,4-oxazepan-4-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 72841831
5-(dimethylamino)-2-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3(2H)-one
CID 72846983
5-(dimethylamino)-2-(1-methyl-2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3(2H)-one
CID 72847356

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one (CID 72908696) is 2-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one is CC(=O)N1CCCN(C(=O)Cn2ncc(N3CCCC3)cc2=O)CC1.
What is the InChIKey of 2-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is CWOHBOHZJHKZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-14(23)19-7-4-8-21(10-9-19)17(25)13-22-16(24)11-15(12-18-22)20-5-2-3-6-20/h11-12H,2-10,13H2,1H3.
What are the key properties of 2-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
2-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 347.42 g/mol, XLogP of -0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 72908696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).