1-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]azepan-2-one

C17H25N5O3 — CID 72869573

IUPAC1-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]azepan-2-one
SMILESCn1ncc(N2CCN(C(=O)CN3CCCCCC3=O)CC2)cc1=O
InChIInChI=1S/C17H25N5O3/c1-19-16(24)11-14(12-18-19)20-7-9-21(10-8-20)17(25)13-22-6-4-2-3-5-15(22)23/h11-12H,2-10,13H2,1H3
InChIKeySQYFFFMWFUZYQT-UHFFFAOYSA-N
MW347.42 g/mol
LogP-0.17
Rot. Bonds3

About 1-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]azepan-2-one

1-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]azepan-2-one (PubChem CID 72869573) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]azepan-2-one.

Molecular Properties

Compound Name1-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]azepan-2-one
PubChem CID72869573
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name1-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]azepan-2-one
SMILESCn1ncc(N2CCN(C(=O)CN3CCCCCC3=O)CC2)cc1=O
InChIInChI=1S/C17H25N5O3/c1-19-16(24)11-14(12-18-19)20-7-9-21(10-8-20)17(25)13-22-6-4-2-3-5-15(22)23/h11-12H,2-10,13H2,1H3
InChIKeySQYFFFMWFUZYQT-UHFFFAOYSA-N
XLogP-0.17
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 ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]azepan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-azepan-1-yl-2-oxoethyl)-5-(dimethylamino)pyridazin-3(2H)-one
CID 72906941
2-Methyl-5-[3-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]pyridazin-3-one
CID 53203883
5-[3-(Azepane-1-carbonyl)piperidin-1-yl]-2-methylpyridazin-3-one
CID 53204012
2-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3(2H)-one
CID 72838958
5-{3-[2-(1-azepanyl)-2-oxoethyl]piperidino}-2-methyl-3(2H)-pyridazinone
CID 91917402
5-{3-[2-(Azepan-1-YL)-2-oxoethyl]piperidin-1-YL}-2-ethyl-2,3-dihydropyridazin-3-one
CID 91917448
2-Methyl-5-{3-[2-(4-methyl-1,4-diazepan-1-YL)-2-oxoethyl]piperidin-1-YL}-2,3-dihydropyridazin-3-one
CID 124072221
2-[2-(1-azepanyl)ethyl]-5-(4-methyl-1-piperazinyl)-3(2H)-pyridazinone
CID 29180411
5-[4-(Azepane-1-carbonyl)piperidin-1-yl]-2-methylpyridazin-3-one
CID 53202138
3-[4-(4-Methylpiperazin-1-yl)-6-oxopyridazin-1-yl]azepane-2,7-dione
CID 171844147
5-[4-(Azepane-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one
CID 53202228
5-(4-methyl-1,4-diazepan-1-yl)-2-[3-(3-methyl-1-piperidinyl)-3-oxopropyl]-3(2H)-pyridazinone
CID 56882845

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]azepan-2-one?
The IUPAC name of 1-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]azepan-2-one (CID 72869573) is 1-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]azepan-2-one.
What is the SMILES notation for 1-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]azepan-2-one?
The canonical SMILES for 1-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]azepan-2-one is Cn1ncc(N2CCN(C(=O)CN3CCCCCC3=O)CC2)cc1=O.
What is the InChIKey of 1-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]azepan-2-one?
The InChIKey is SQYFFFMWFUZYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-19-16(24)11-14(12-18-19)20-7-9-21(10-8-20)17(25)13-22-6-4-2-3-5-15(22)23/h11-12H,2-10,13H2,1H3.
What are the key properties of 1-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]azepan-2-one?
1-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]azepan-2-one has a molecular weight of 347.42 g/mol, XLogP of -0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]azepan-2-one is sourced from PubChem (CID 72869573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).