2,5,7-triazaspiro[3.4]octan-6-one;hydrochloride

C5H10ClN3O — CID 75531158

IUPAC2,5,7-triazaspiro[3.4]octan-6-one;hydrochloride
SMILESCl.O=C1NCC2(CNC2)N1
InChIInChI=1S/C5H9N3O.ClH/c9-4-7-3-5(8-4)1-6-2-5;/h6H,1-3H2,(H2,7,8,9);1H
InChIKeyHVJUIAJESRNOJG-UHFFFAOYSA-N
MW163.61 g/mol
LogP-0.94
Rot. Bonds

About 2,5,7-triazaspiro[3.4]octan-6-one;hydrochloride

2,5,7-triazaspiro[3.4]octan-6-one;hydrochloride (PubChem CID 75531158) has the molecular formula C5H10ClN3O and a molecular weight of 163.61 g/mol. Its IUPAC name is 2,5,7-triazaspiro[3.4]octan-6-one;hydrochloride.

Molecular Properties

Compound Name2,5,7-triazaspiro[3.4]octan-6-one;hydrochloride
PubChem CID75531158
Molecular FormulaC5H10ClN3O
Molecular Weight163.61 g/mol
Exact Mass163.05
IUPAC Name2,5,7-triazaspiro[3.4]octan-6-one;hydrochloride
SMILESCl.O=C1NCC2(CNC2)N1
InChIInChI=1S/C5H9N3O.ClH/c9-4-7-3-5(8-4)1-6-2-5;/h6H,1-3H2,(H2,7,8,9);1H
InChIKeyHVJUIAJESRNOJG-UHFFFAOYSA-N
XLogP-0.94
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.61
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5,7-triazaspiro[3.4]octan-6-one;hydrochloride?
The IUPAC name of 2,5,7-triazaspiro[3.4]octan-6-one;hydrochloride (CID 75531158) is 2,5,7-triazaspiro[3.4]octan-6-one;hydrochloride.
What is the SMILES notation for 2,5,7-triazaspiro[3.4]octan-6-one;hydrochloride?
The canonical SMILES for 2,5,7-triazaspiro[3.4]octan-6-one;hydrochloride is Cl.O=C1NCC2(CNC2)N1.
What is the InChIKey of 2,5,7-triazaspiro[3.4]octan-6-one;hydrochloride?
The InChIKey is HVJUIAJESRNOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O.ClH/c9-4-7-3-5(8-4)1-6-2-5;/h6H,1-3H2,(H2,7,8,9);1H.
What are the key properties of 2,5,7-triazaspiro[3.4]octan-6-one;hydrochloride?
2,5,7-triazaspiro[3.4]octan-6-one;hydrochloride has a molecular weight of 163.61 g/mol, XLogP of -0.94, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7-triazaspiro[3.4]octan-6-one;hydrochloride is sourced from PubChem (CID 75531158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).