1,4,9-triazaspiro[4.5]decan-3-one

C7H13N3O — CID 67172447

IUPAC1,4,9-triazaspiro[4.5]decan-3-one
SMILESO=C1CNC2(CCCNC2)N1
InChIInChI=1S/C7H13N3O/c11-6-4-9-7(10-6)2-1-3-8-5-7/h8-9H,1-5H2,(H,10,11)
InChIKeyNCZGGNZDSDWZJS-UHFFFAOYSA-N
MW155.20 g/mol
LogP-1.21
Rot. Bonds

About 1,4,9-triazaspiro[4.5]decan-3-one

1,4,9-triazaspiro[4.5]decan-3-one (PubChem CID 67172447) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 1,4,9-triazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name1,4,9-triazaspiro[4.5]decan-3-one
PubChem CID67172447
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name1,4,9-triazaspiro[4.5]decan-3-one
SMILESO=C1CNC2(CCCNC2)N1
InChIInChI=1S/C7H13N3O/c11-6-4-9-7(10-6)2-1-3-8-5-7/h8-9H,1-5H2,(H,10,11)
InChIKeyNCZGGNZDSDWZJS-UHFFFAOYSA-N
XLogP-1.21
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,7,10-triazaspiro[5.6]dodecan-8-one
CID 162422719
2,7,10-triazaspiro[5.6]dodecan-8-one;dihydrochloride
CID 162422718
3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylic acid
CID 68886117
1,3,9-triazaspiro[4.5]decan-2-one
CID 83679914
6-fluorospiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one
CID 102549266
4-oxa-1,8-diazaspiro[5.5]undecan-2-one
CID 115067081
2,8-diazaspiro[5.5]undecan-1-one
CID 45074354
3-oxa-1,9-diazaspiro[4.5]decan-2-one
CID 83872853
2,9-diazaspiro[4.5]decan-1-one
CID 23135196
7,7-dimethyl-1,4-diazepan-2-one;molecular hydrogen
CID 143599230
1,4,8-triazaspiro[5.5]undecane
CID 57350918
1,10-diazaspiro[4.5]decane;dihydrochloride
CID 71741468

Frequently Asked Questions

What is the IUPAC name of 1,4,9-triazaspiro[4.5]decan-3-one?
The IUPAC name of 1,4,9-triazaspiro[4.5]decan-3-one (CID 67172447) is 1,4,9-triazaspiro[4.5]decan-3-one.
What is the SMILES notation for 1,4,9-triazaspiro[4.5]decan-3-one?
The canonical SMILES for 1,4,9-triazaspiro[4.5]decan-3-one is O=C1CNC2(CCCNC2)N1.
What is the InChIKey of 1,4,9-triazaspiro[4.5]decan-3-one?
The InChIKey is NCZGGNZDSDWZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c11-6-4-9-7(10-6)2-1-3-8-5-7/h8-9H,1-5H2,(H,10,11).
What are the key properties of 1,4,9-triazaspiro[4.5]decan-3-one?
1,4,9-triazaspiro[4.5]decan-3-one has a molecular weight of 155.20 g/mol, XLogP of -1.21, 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[4.5]decan-3-one is sourced from PubChem (CID 67172447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).