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

C5H9N3O — CID 75531159

IUPAC2,5,7-triazaspiro[3.4]octan-6-one
SMILESO=C1NCC2(CNC2)N1
InChIInChI=1S/C5H9N3O/c9-4-7-3-5(8-4)1-6-2-5/h6H,1-3H2,(H2,7,8,9)
InChIKeyFBEGJTXDAHQEAI-UHFFFAOYSA-N
MW127.15 g/mol
LogP-1.36
Rot. Bonds

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

2,5,7-triazaspiro[3.4]octan-6-one (PubChem CID 75531159) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 2,5,7-triazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2,5,7-triazaspiro[3.4]octan-6-one
PubChem CID75531159
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name2,5,7-triazaspiro[3.4]octan-6-one
SMILESO=C1NCC2(CNC2)N1
InChIInChI=1S/C5H9N3O/c9-4-7-3-5(8-4)1-6-2-5/h6H,1-3H2,(H2,7,8,9)
InChIKeyFBEGJTXDAHQEAI-UHFFFAOYSA-N
XLogP-1.36
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Dimethylimidazolidin-2-one
CID 232656
2,5,7-Triazaspiro[3.4]octan-6-one hydrochloride
CID 75531158
5-Methyl-2,5,7-triazaspiro(3.4)octan-6-one hydrochloride
CID 75531181
4-Methyl-4-ethyl-2-imidazolinone
CID 54006673
1-(Azetidin-3-yl)imidazolidin-2-one
CID 66187743
5-Methyl-2,5,7-triazaspiro[3.4]octan-6-one
CID 75531182
4-(Aminomethyl)-4-methylimidazolidin-2-one;hydrochloride
CID 170914941
4,4,5-Trimethylimidazolidin-2-one
CID 14251533
1-(2-Amino-ethyl)-5,5-dimethyl-imidazolidin-2-one
CID 57428813
4,6-Diazaspiro[2.4]heptan-5-one
CID 57516744
1-(2-Aminoethyl)-4,4-dimethylimidazolidin-2-one
CID 69331813
5,7-Dimethyl-2,5,7-triazaspiro[3.4]octan-6-one
CID 105430326

Frequently Asked Questions

What is the IUPAC name of 2,5,7-triazaspiro[3.4]octan-6-one?
The IUPAC name of 2,5,7-triazaspiro[3.4]octan-6-one (CID 75531159) is 2,5,7-triazaspiro[3.4]octan-6-one.
What is the SMILES notation for 2,5,7-triazaspiro[3.4]octan-6-one?
The canonical SMILES for 2,5,7-triazaspiro[3.4]octan-6-one is O=C1NCC2(CNC2)N1.
What is the InChIKey of 2,5,7-triazaspiro[3.4]octan-6-one?
The InChIKey is FBEGJTXDAHQEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c9-4-7-3-5(8-4)1-6-2-5/h6H,1-3H2,(H2,7,8,9).
What are the key properties of 2,5,7-triazaspiro[3.4]octan-6-one?
2,5,7-triazaspiro[3.4]octan-6-one has a molecular weight of 127.15 g/mol, XLogP of -1.36, 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 is sourced from PubChem (CID 75531159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).