2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-5-methylpyridazin-3-one

C12H18N4O2 — CID 106548734

IUPAC2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-5-methylpyridazin-3-one
SMILESCc1cnn(CC(=O)N2CCCNCC2)c(=O)c1
InChIInChI=1S/C12H18N4O2/c1-10-7-11(17)16(14-8-10)9-12(18)15-5-2-3-13-4-6-15/h7-8,13H,2-6,9H2,1H3
InChIKeyABAPISXODSNGGW-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.63
Rot. Bonds2

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

2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-5-methylpyridazin-3-one (PubChem CID 106548734) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-5-methylpyridazin-3-one
PubChem CID106548734
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-5-methylpyridazin-3-one
SMILESCc1cnn(CC(=O)N2CCCNCC2)c(=O)c1
InChIInChI=1S/C12H18N4O2/c1-10-7-11(17)16(14-8-10)9-12(18)15-5-2-3-13-4-6-15/h7-8,13H,2-6,9H2,1H3
InChIKeyABAPISXODSNGGW-UHFFFAOYSA-N
XLogP-0.63
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-5-methylpyridazin-3-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-(1,4-Diazepan-1-yl)-2-oxoethyl]pyridazin-3-one
CID 62849429
5-Methyl-2-[3-(propylamino)propyl]pyridazin-3-one
CID 106548523
5-Methyl-2-[2-(propylamino)ethyl]pyridazin-3-one
CID 106548525
2-[3-(Ethylamino)propyl]-5-methylpyridazin-3-one
CID 106548593
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-methyl-6-oxopyridazin-1-yl)acetamide
CID 106548713
2-[2-(Ethylaminomethyl)prop-2-enyl]-5-methylpyridazin-3-one
CID 106548864
5-Methyl-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 106548865
2-[2-[2-(Dimethylamino)ethylamino]ethyl]-5-methylpyridazin-3-one
CID 106549081
2-[2-(Butylamino)ethyl]-5-methylpyridazin-3-one
CID 106549121
5-Methyl-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one
CID 106549128
5-Methyl-2-(3-oxo-3-piperazin-1-ylpropyl)pyridazin-3-one
CID 113848157
5-Methyl-2-(2-oxo-2-piperazin-1-ylethyl)pyridazin-3-one
CID 113848158

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-5-methylpyridazin-3-one (CID 106548734) is 2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-5-methylpyridazin-3-one is Cc1cnn(CC(=O)N2CCCNCC2)c(=O)c1.
What is the InChIKey of 2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-5-methylpyridazin-3-one?
The InChIKey is ABAPISXODSNGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-10-7-11(17)16(14-8-10)9-12(18)15-5-2-3-13-4-6-15/h7-8,13H,2-6,9H2,1H3.
What are the key properties of 2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-5-methylpyridazin-3-one?
2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-5-methylpyridazin-3-one has a molecular weight of 250.30 g/mol, XLogP of -0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 106548734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).