1,3,9-triazaspiro[4.5]decane-2,4-dione;hydrochloride

C7H12ClN3O2 — CID 42614384

IUPAC1,3,9-triazaspiro[4.5]decane-2,4-dione;hydrochloride
SMILESCl.O=C1NC(=O)C2(CCCNC2)N1
InChIInChI=1S/C7H11N3O2.ClH/c11-5-7(10-6(12)9-5)2-1-3-8-4-7;/h8H,1-4H2,(H2,9,10,11,12);1H
InChIKeyVJAWKWYPFADZEI-UHFFFAOYSA-N
MW205.64 g/mol
LogP-0.63
Rot. Bonds

About 1,3,9-triazaspiro[4.5]decane-2,4-dione;hydrochloride

1,3,9-triazaspiro[4.5]decane-2,4-dione;hydrochloride (PubChem CID 42614384) has the molecular formula C7H12ClN3O2 and a molecular weight of 205.64 g/mol. Its IUPAC name is 1,3,9-triazaspiro[4.5]decane-2,4-dione;hydrochloride.

Molecular Properties

Compound Name1,3,9-triazaspiro[4.5]decane-2,4-dione;hydrochloride
PubChem CID42614384
Molecular FormulaC7H12ClN3O2
Molecular Weight205.64 g/mol
Exact Mass205.06
IUPAC Name1,3,9-triazaspiro[4.5]decane-2,4-dione;hydrochloride
SMILESCl.O=C1NC(=O)C2(CCCNC2)N1
InChIInChI=1S/C7H11N3O2.ClH/c11-5-7(10-6(12)9-5)2-1-3-8-4-7;/h8H,1-4H2,(H2,9,10,11,12);1H
InChIKeyVJAWKWYPFADZEI-UHFFFAOYSA-N
XLogP-0.63
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3,8-Triazaspiro[4.5]decane-2,4-dione
CID 120989
3-Methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione hydrochloride
CID 18931313
1,3,7-Triazaspiro(4.5)decane-2,4-dione
CID 12652263
5-Methyl-5-(piperidin-4-yl)imidazolidine-2,4-dione
CID 56709706
1-Methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione hydrochloride
CID 153517448
3-Methyl-1,3,7-triazaspiro(4.5)decane-2,4-dione hydrochloride
CID 12652265
(5R)-1,3,9-Triazaspiro[4.5]decane-2,4-dione
CID 29948024
3-Methyl-1,3,7-triaza-spiro[4.5]decane-2,4-dione
CID 12652264
6,6-Difluoro-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 135241337
(5S)-1,3,9-Triazaspiro[4.5]decane-2,4-dione
CID 29948018
2-(2,4-dioxo-1,3,9-triazaspiro[4.5]decan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 81639542
9-[2-(2,2,2-Trifluoroethylamino)acetyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 81640046

Frequently Asked Questions

What is the IUPAC name of 1,3,9-triazaspiro[4.5]decane-2,4-dione;hydrochloride?
The IUPAC name of 1,3,9-triazaspiro[4.5]decane-2,4-dione;hydrochloride (CID 42614384) is 1,3,9-triazaspiro[4.5]decane-2,4-dione;hydrochloride.
What is the SMILES notation for 1,3,9-triazaspiro[4.5]decane-2,4-dione;hydrochloride?
The canonical SMILES for 1,3,9-triazaspiro[4.5]decane-2,4-dione;hydrochloride is Cl.O=C1NC(=O)C2(CCCNC2)N1.
What is the InChIKey of 1,3,9-triazaspiro[4.5]decane-2,4-dione;hydrochloride?
The InChIKey is VJAWKWYPFADZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2.ClH/c11-5-7(10-6(12)9-5)2-1-3-8-4-7;/h8H,1-4H2,(H2,9,10,11,12);1H.
What are the key properties of 1,3,9-triazaspiro[4.5]decane-2,4-dione;hydrochloride?
1,3,9-triazaspiro[4.5]decane-2,4-dione;hydrochloride has a molecular weight of 205.64 g/mol, XLogP of -0.63, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,9-triazaspiro[4.5]decane-2,4-dione;hydrochloride is sourced from PubChem (CID 42614384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).