6-methyl-1,3,8-triazaspiro[4.5]decan-4-one

C8H15N3O — CID 123755777

IUPAC6-methyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCC1CNCCC12NCNC2=O
InChIInChI=1S/C8H15N3O/c1-6-4-9-3-2-8(6)7(12)10-5-11-8/h6,9,11H,2-5H2,1H3,(H,10,12)
InChIKeySREAAVIBGAEYAP-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.97
Rot. Bonds

About 6-methyl-1,3,8-triazaspiro[4.5]decan-4-one

6-methyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 123755777) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 6-methyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name6-methyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID123755777
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name6-methyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCC1CNCCC12NCNC2=O
InChIInChI=1S/C8H15N3O/c1-6-4-9-3-2-8(6)7(12)10-5-11-8/h6,9,11H,2-5H2,1H3,(H,10,12)
InChIKeySREAAVIBGAEYAP-UHFFFAOYSA-N
XLogP-0.97
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 6-methyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 123755777) is 6-methyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 6-methyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 6-methyl-1,3,8-triazaspiro[4.5]decan-4-one is CC1CNCCC12NCNC2=O.
What is the InChIKey of 6-methyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is SREAAVIBGAEYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6-4-9-3-2-8(6)7(12)10-5-11-8/h6,9,11H,2-5H2,1H3,(H,10,12).
What are the key properties of 6-methyl-1,3,8-triazaspiro[4.5]decan-4-one?
6-methyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 169.23 g/mol, XLogP of -0.97, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 123755777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).