3-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione;hydrochloride

C7H12ClN3O2 — CID 72716279

IUPAC3-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione;hydrochloride
SMILESCN1C(=O)NC2(CCNC2)C1=O.Cl
InChIInChI=1S/C7H11N3O2.ClH/c1-10-5(11)7(9-6(10)12)2-3-8-4-7;/h8H,2-4H2,1H3,(H,9,12);1H
InChIKeyUHKZYJXYGQLKLX-UHFFFAOYSA-N
MW205.64 g/mol
LogP-0.68
Rot. Bonds

About 3-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione;hydrochloride

3-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione;hydrochloride (PubChem CID 72716279) has the molecular formula C7H12ClN3O2 and a molecular weight of 205.64 g/mol. Its IUPAC name is 3-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione;hydrochloride
PubChem CID72716279
Molecular FormulaC7H12ClN3O2
Molecular Weight205.64 g/mol
Exact Mass205.06
IUPAC Name3-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione;hydrochloride
SMILESCN1C(=O)NC2(CCNC2)C1=O.Cl
InChIInChI=1S/C7H11N3O2.ClH/c1-10-5(11)7(9-6(10)12)2-3-8-4-7;/h8H,2-4H2,1H3,(H,9,12);1H
InChIKeyUHKZYJXYGQLKLX-UHFFFAOYSA-N
XLogP-0.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3,7-Triazaspiro(4.4)nonane-2,4-dione hydrochloride
CID 54594450
5,5-Dimethyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 47013852
1,3,7-Triazaspiro[4.4]nonane-2,4-dione
CID 18442718
5-(2-Oxo-2-(pyrrolidin-1-yl)ethyl)imidazolidine-2,4-dione
CID 16227499
3-(Propan-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 71873198
5,5-Diethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 18775734
3-Methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 71700307
7-Fluoro-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 142524255
2,4-Dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylic acid
CID 129874632
4-ethyl-2,5-dioxo-N-propan-2-ylimidazolidine-4-carboxamide
CID 134907856
5-Methyl-3-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 64265882
3-(Propan-2-yl)-7-(2,2,2-trifluoroethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 71928182

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione;hydrochloride?
The IUPAC name of 3-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione;hydrochloride (CID 72716279) is 3-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione;hydrochloride.
What is the SMILES notation for 3-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione;hydrochloride?
The canonical SMILES for 3-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione;hydrochloride is CN1C(=O)NC2(CCNC2)C1=O.Cl.
What is the InChIKey of 3-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione;hydrochloride?
The InChIKey is UHKZYJXYGQLKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2.ClH/c1-10-5(11)7(9-6(10)12)2-3-8-4-7;/h8H,2-4H2,1H3,(H,9,12);1H.
What are the key properties of 3-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione;hydrochloride?
3-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione;hydrochloride has a molecular weight of 205.64 g/mol, XLogP of -0.68, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione;hydrochloride is sourced from PubChem (CID 72716279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).