3-[(6-chloropyridazin-3-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C14H17ClN4O2 — CID 104513859

IUPAC3-[(6-chloropyridazin-3-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)nn1)C2=O
InChIInChI=1S/C14H17ClN4O2/c1-9-4-6-14(7-5-9)12(20)19(13(21)16-14)8-10-2-3-11(15)18-17-10/h2-3,9H,4-8H2,1H3,(H,16,21)
InChIKeyKRKXDUCXUJJNIQ-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.13
Rot. Bonds2

About 3-[(6-chloropyridazin-3-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(6-chloropyridazin-3-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 104513859) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 3-[(6-chloropyridazin-3-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(6-chloropyridazin-3-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID104513859
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name3-[(6-chloropyridazin-3-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)nn1)C2=O
InChIInChI=1S/C14H17ClN4O2/c1-9-4-6-14(7-5-9)12(20)19(13(21)16-14)8-10-2-3-11(15)18-17-10/h2-3,9H,4-8H2,1H3,(H,16,21)
InChIKeyKRKXDUCXUJJNIQ-UHFFFAOYSA-N
XLogP2.13
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 3-[(6-chloropyridazin-3-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione 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

3-[(6-chloro-2-pyridinyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 79233332
3-ethyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 60642768
3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 31688665
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetaldehyde
CID 62025356
3-[(2,2-dichlorocyclopropyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4884645
3-[(5-hydrazinylthiadiazol-4-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 62245596
8-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2578417
3-(cyclohexylmethyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7170081
3-(3-hydroxypropyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 43509771
3-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2688325
8-methyl-3-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4825972
3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2710885

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloropyridazin-3-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(6-chloropyridazin-3-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 104513859) is 3-[(6-chloropyridazin-3-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(6-chloropyridazin-3-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(6-chloropyridazin-3-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)nn1)C2=O.
What is the InChIKey of 3-[(6-chloropyridazin-3-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is KRKXDUCXUJJNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-9-4-6-14(7-5-9)12(20)19(13(21)16-14)8-10-2-3-11(15)18-17-10/h2-3,9H,4-8H2,1H3,(H,16,21).
What are the key properties of 3-[(6-chloropyridazin-3-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(6-chloropyridazin-3-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 308.77 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloropyridazin-3-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 104513859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).