1,2,3-triazaspiro[4.5]decan-4-one;hydrochloride

C7H14ClN3O — CID 140987307

IUPAC1,2,3-triazaspiro[4.5]decan-4-one;hydrochloride
SMILESCl.O=C1NNNC12CCCCC2
InChIInChI=1S/C7H13N3O.ClH/c11-6-7(9-10-8-6)4-2-1-3-5-7;/h9-10H,1-5H2,(H,8,11);1H
InChIKeyUSFKGNCUSRHUNC-UHFFFAOYSA-N
MW191.66 g/mol
LogP0.25
Rot. Bonds

About 1,2,3-triazaspiro[4.5]decan-4-one;hydrochloride

1,2,3-triazaspiro[4.5]decan-4-one;hydrochloride (PubChem CID 140987307) has the molecular formula C7H14ClN3O and a molecular weight of 191.66 g/mol. Its IUPAC name is 1,2,3-triazaspiro[4.5]decan-4-one;hydrochloride.

Molecular Properties

Compound Name1,2,3-triazaspiro[4.5]decan-4-one;hydrochloride
PubChem CID140987307
Molecular FormulaC7H14ClN3O
Molecular Weight191.66 g/mol
Exact Mass191.08
IUPAC Name1,2,3-triazaspiro[4.5]decan-4-one;hydrochloride
SMILESCl.O=C1NNNC12CCCCC2
InChIInChI=1S/C7H13N3O.ClH/c11-6-7(9-10-8-6)4-2-1-3-5-7;/h9-10H,1-5H2,(H,8,11);1H
InChIKeyUSFKGNCUSRHUNC-UHFFFAOYSA-N
XLogP0.25
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,11-triazaspiro[4.7]dodecan-12-one
CID 139384067
8,11-diazaspiro[5.6]dodecane-7,12-dione
CID 82469216
spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
CID 12886753
4-hydroxy-1-azaspiro[4.5]dec-3-en-2-one
CID 89405315
3-(3-bromo-2-hydroxypropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 112560051
2-(tert-butylamino)-1,3-diazaspiro[4.5]dec-1-en-4-one
CID 82999321
4-amino-1,3-diazaspiro[4.7]dodec-3-en-2-one
CID 79960446
9-ethyl-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886492
5,10-diazadispiro[2.2.26.23]decane-4,9-dione
CID 67427050
9-azaspiro[6.10]heptadecane-8,10-dione
CID 69440147
1-azadispiro[2.1.55.33]tridecan-13-one
CID 135365228
2-(chloromethyl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 170353552

Frequently Asked Questions

What is the IUPAC name of 1,2,3-triazaspiro[4.5]decan-4-one;hydrochloride?
The IUPAC name of 1,2,3-triazaspiro[4.5]decan-4-one;hydrochloride (CID 140987307) is 1,2,3-triazaspiro[4.5]decan-4-one;hydrochloride.
What is the SMILES notation for 1,2,3-triazaspiro[4.5]decan-4-one;hydrochloride?
The canonical SMILES for 1,2,3-triazaspiro[4.5]decan-4-one;hydrochloride is Cl.O=C1NNNC12CCCCC2.
What is the InChIKey of 1,2,3-triazaspiro[4.5]decan-4-one;hydrochloride?
The InChIKey is USFKGNCUSRHUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O.ClH/c11-6-7(9-10-8-6)4-2-1-3-5-7;/h9-10H,1-5H2,(H,8,11);1H.
What are the key properties of 1,2,3-triazaspiro[4.5]decan-4-one;hydrochloride?
1,2,3-triazaspiro[4.5]decan-4-one;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 0.25, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-triazaspiro[4.5]decan-4-one;hydrochloride is sourced from PubChem (CID 140987307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).