1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride

C8H17Cl2N3O — CID 86812140

IUPAC1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride
SMILESCl.Cl.O=C1NCCNC12CCNCC2
InChIInChI=1S/C8H15N3O.2ClH/c12-7-8(11-6-5-10-7)1-3-9-4-2-8;;/h9,11H,1-6H2,(H,10,12);2*1H
InChIKeyOXFSLLMEPPTYDY-UHFFFAOYSA-N
MW242.15 g/mol
LogP-0.33
Rot. Bonds

About 1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride

1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride (PubChem CID 86812140) has the molecular formula C8H17Cl2N3O and a molecular weight of 242.15 g/mol. Its IUPAC name is 1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride.

Molecular Properties

Compound Name1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride
PubChem CID86812140
Molecular FormulaC8H17Cl2N3O
Molecular Weight242.15 g/mol
Exact Mass241.07
IUPAC Name1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride
SMILESCl.Cl.O=C1NCCNC12CCNCC2
InChIInChI=1S/C8H15N3O.2ClH/c12-7-8(11-6-5-10-7)1-3-9-4-2-8;;/h9,11H,1-6H2,(H,10,12);2*1H
InChIKeyOXFSLLMEPPTYDY-UHFFFAOYSA-N
XLogP-0.33
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.15
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride?
The IUPAC name of 1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride (CID 86812140) is 1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride.
What is the SMILES notation for 1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride?
The canonical SMILES for 1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride is Cl.Cl.O=C1NCCNC12CCNCC2.
What is the InChIKey of 1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride?
The InChIKey is OXFSLLMEPPTYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O.2ClH/c12-7-8(11-6-5-10-7)1-3-9-4-2-8;;/h9,11H,1-6H2,(H,10,12);2*1H.
What are the key properties of 1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride?
1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride has a molecular weight of 242.15 g/mol, XLogP of -0.33, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride is sourced from PubChem (CID 86812140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).