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

C6H12ClN3O — CID 75531181

IUPAC5-methyl-2,5,7-triazaspiro[3.4]octan-6-one;hydrochloride
SMILESCN1C(=O)NCC12CNC2.Cl
InChIInChI=1S/C6H11N3O.ClH/c1-9-5(10)8-4-6(9)2-7-3-6;/h7H,2-4H2,1H3,(H,8,10);1H
InChIKeyPAURWMGHQVDYFG-UHFFFAOYSA-N
MW177.63 g/mol
LogP-0.59
Rot. Bonds

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

5-methyl-2,5,7-triazaspiro[3.4]octan-6-one;hydrochloride (PubChem CID 75531181) has the molecular formula C6H12ClN3O and a molecular weight of 177.63 g/mol. Its IUPAC name is 5-methyl-2,5,7-triazaspiro[3.4]octan-6-one;hydrochloride.

Molecular Properties

Compound Name5-methyl-2,5,7-triazaspiro[3.4]octan-6-one;hydrochloride
PubChem CID75531181
Molecular FormulaC6H12ClN3O
Molecular Weight177.63 g/mol
Exact Mass177.07
IUPAC Name5-methyl-2,5,7-triazaspiro[3.4]octan-6-one;hydrochloride
SMILESCN1C(=O)NCC12CNC2.Cl
InChIInChI=1S/C6H11N3O.ClH/c1-9-5(10)8-4-6(9)2-7-3-6;/h7H,2-4H2,1H3,(H,8,10);1H
InChIKeyPAURWMGHQVDYFG-UHFFFAOYSA-N
XLogP-0.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,5,7-triazaspiro[3.4]octan-6-one;hydrochloride?
The IUPAC name of 5-methyl-2,5,7-triazaspiro[3.4]octan-6-one;hydrochloride (CID 75531181) is 5-methyl-2,5,7-triazaspiro[3.4]octan-6-one;hydrochloride.
What is the SMILES notation for 5-methyl-2,5,7-triazaspiro[3.4]octan-6-one;hydrochloride?
The canonical SMILES for 5-methyl-2,5,7-triazaspiro[3.4]octan-6-one;hydrochloride is CN1C(=O)NCC12CNC2.Cl.
What is the InChIKey of 5-methyl-2,5,7-triazaspiro[3.4]octan-6-one;hydrochloride?
The InChIKey is PAURWMGHQVDYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O.ClH/c1-9-5(10)8-4-6(9)2-7-3-6;/h7H,2-4H2,1H3,(H,8,10);1H.
What are the key properties of 5-methyl-2,5,7-triazaspiro[3.4]octan-6-one;hydrochloride?
5-methyl-2,5,7-triazaspiro[3.4]octan-6-one;hydrochloride has a molecular weight of 177.63 g/mol, XLogP of -0.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,5,7-triazaspiro[3.4]octan-6-one;hydrochloride is sourced from PubChem (CID 75531181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).