2-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one

C17H29N5O — CID 72874747

IUPAC2-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one
SMILESCCN1CCCC1Cn1ncc(N2CCCN(C)CC2)cc1=O
InChIInChI=1S/C17H29N5O/c1-3-20-8-4-6-15(20)14-22-17(23)12-16(13-18-22)21-9-5-7-19(2)10-11-21/h12-13,15H,3-11,14H2,1-2H3
InChIKeyQZEXVFYVLGJSKI-UHFFFAOYSA-N
MW319.45 g/mol
LogP0.87
Rot. Bonds4

About 2-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one

2-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one (PubChem CID 72874747) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one
PubChem CID72874747
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name2-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one
SMILESCCN1CCCC1Cn1ncc(N2CCCN(C)CC2)cc1=O
InChIInChI=1S/C17H29N5O/c1-3-20-8-4-6-15(20)14-22-17(23)12-16(13-18-22)21-9-5-7-19(2)10-11-21/h12-13,15H,3-11,14H2,1-2H3
InChIKeyQZEXVFYVLGJSKI-UHFFFAOYSA-N
XLogP0.87
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-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-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
2-[2-(1-azepanyl)ethyl]-5-(4-methyl-1-piperazinyl)-3(2H)-pyridazinone
CID 29180411
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
5-(4-methyl-1,4-diazepan-1-yl)-2-pent-2-yn-1-ylpyridazin-3(2H)-one
CID 72850109
2-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 72908696
2-[2-(1-methylpiperidin-2-yl)ethyl]-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 72929176
5-(dimethylamino)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyridazin-3-one
CID 97188706
5-(dimethylamino)-2-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridazin-3-one
CID 97188792
5-(dimethylamino)-2-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridazin-3-one
CID 97188793
2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 97208022

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one?
The IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one (CID 72874747) is 2-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one is CCN1CCCC1Cn1ncc(N2CCCN(C)CC2)cc1=O.
What is the InChIKey of 2-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one?
The InChIKey is QZEXVFYVLGJSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-3-20-8-4-6-15(20)14-22-17(23)12-16(13-18-22)21-9-5-7-19(2)10-11-21/h12-13,15H,3-11,14H2,1-2H3.
What are the key properties of 2-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one?
2-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one has a molecular weight of 319.45 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one is sourced from PubChem (CID 72874747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).