1,2,4-triazaspiro[4.5]dec-1-en-3-one;dihydrochloride

C7H13Cl2N3O — CID 141162747

IUPAC1,2,4-triazaspiro[4.5]dec-1-en-3-one;dihydrochloride
SMILESCl.Cl.O=C1N=NC2(CCCCC2)N1
InChIInChI=1S/C7H11N3O.2ClH/c11-6-8-7(10-9-6)4-2-1-3-5-7;;/h1-5H2,(H,8,11);2*1H
InChIKeyWHLROZDWQIGMFM-UHFFFAOYSA-N
MW226.11 g/mol
LogP2.67
Rot. Bonds

About 1,2,4-triazaspiro[4.5]dec-1-en-3-one;dihydrochloride

1,2,4-triazaspiro[4.5]dec-1-en-3-one;dihydrochloride (PubChem CID 141162747) has the molecular formula C7H13Cl2N3O and a molecular weight of 226.11 g/mol. Its IUPAC name is 1,2,4-triazaspiro[4.5]dec-1-en-3-one;dihydrochloride.

Molecular Properties

Compound Name1,2,4-triazaspiro[4.5]dec-1-en-3-one;dihydrochloride
PubChem CID141162747
Molecular FormulaC7H13Cl2N3O
Molecular Weight226.11 g/mol
Exact Mass225.04
IUPAC Name1,2,4-triazaspiro[4.5]dec-1-en-3-one;dihydrochloride
SMILESCl.Cl.O=C1N=NC2(CCCCC2)N1
InChIInChI=1S/C7H11N3O.2ClH/c11-6-8-7(10-9-6)4-2-1-3-5-7;;/h1-5H2,(H,8,11);2*1H
InChIKeyWHLROZDWQIGMFM-UHFFFAOYSA-N
XLogP2.67
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.11
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,2,4-triazaspiro[4.5]dec-1-en-3-one;dihydrochloride 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

1,2,4-triazaspiro[4.5]dec-1-ene-3-thione
CID 87809999
5,5-dichloro-4H-1,2,4-triazol-3-one
CID 101365406
3-ethyl-1,4-diazaspiro[4.6]undec-3-en-2-one
CID 58553961
4-amino-1,3-diazaspiro[4.7]dodec-3-en-2-one
CID 79960446
2-methoxy-1,3-diazaspiro[3.5]non-2-ene
CID 126729438
3-thiophen-2-yl-1,4-diazaspiro[4.5]dec-3-en-2-one
CID 22424916
3-azaspiro[5.6]dodecane-2,4-dione
CID 46911960
(3aS,7aR)-3a,7a-dihydroxy-1,3,4,5,6,7-hexahydrobenzimidazol-2-one
CID 131053680
1,2,3-triazaspiro[4.5]decan-4-one;hydrochloride
CID 140987307
3-(4-imidazol-1-ylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one
CID 59620558
spiro[1H-quinazoline-2,1'-cyclohexane]-4-amine;hydrochloride
CID 67568659
2-tert-butyl-1,4-diazaspiro[4.6]undecan-3-one
CID 91400663

Frequently Asked Questions

What is the IUPAC name of 1,2,4-triazaspiro[4.5]dec-1-en-3-one;dihydrochloride?
The IUPAC name of 1,2,4-triazaspiro[4.5]dec-1-en-3-one;dihydrochloride (CID 141162747) is 1,2,4-triazaspiro[4.5]dec-1-en-3-one;dihydrochloride.
What is the SMILES notation for 1,2,4-triazaspiro[4.5]dec-1-en-3-one;dihydrochloride?
The canonical SMILES for 1,2,4-triazaspiro[4.5]dec-1-en-3-one;dihydrochloride is Cl.Cl.O=C1N=NC2(CCCCC2)N1.
What is the InChIKey of 1,2,4-triazaspiro[4.5]dec-1-en-3-one;dihydrochloride?
The InChIKey is WHLROZDWQIGMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O.2ClH/c11-6-8-7(10-9-6)4-2-1-3-5-7;;/h1-5H2,(H,8,11);2*1H.
What are the key properties of 1,2,4-triazaspiro[4.5]dec-1-en-3-one;dihydrochloride?
1,2,4-triazaspiro[4.5]dec-1-en-3-one;dihydrochloride has a molecular weight of 226.11 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-triazaspiro[4.5]dec-1-en-3-one;dihydrochloride is sourced from PubChem (CID 141162747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).