3-(8-oxa-5-azaspiro[3.5]nonan-5-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one

C10H16N4O2 — CID 137214696

IUPAC3-(8-oxa-5-azaspiro[3.5]nonan-5-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(CN2CCOCC23CCC3)[nH]1
InChIInChI=1S/C10H16N4O2/c15-9-11-8(12-13-9)6-14-4-5-16-7-10(14)2-1-3-10/h1-7H2,(H2,11,12,13,15)
InChIKeyUHTWVFAFSQZPHT-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.15
Rot. Bonds2

About 3-(8-oxa-5-azaspiro[3.5]nonan-5-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one

3-(8-oxa-5-azaspiro[3.5]nonan-5-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 137214696) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-(8-oxa-5-azaspiro[3.5]nonan-5-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(8-oxa-5-azaspiro[3.5]nonan-5-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID137214696
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name3-(8-oxa-5-azaspiro[3.5]nonan-5-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(CN2CCOCC23CCC3)[nH]1
InChIInChI=1S/C10H16N4O2/c15-9-11-8(12-13-9)6-14-4-5-16-7-10(14)2-1-3-10/h1-7H2,(H2,11,12,13,15)
InChIKeyUHTWVFAFSQZPHT-UHFFFAOYSA-N
XLogP-0.15
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(7-Oxa-4-azaspiro[2.5]octan-4-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137205612

Frequently Asked Questions

What is the IUPAC name of 3-(8-oxa-5-azaspiro[3.5]nonan-5-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-(8-oxa-5-azaspiro[3.5]nonan-5-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one (CID 137214696) is 3-(8-oxa-5-azaspiro[3.5]nonan-5-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(8-oxa-5-azaspiro[3.5]nonan-5-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-(8-oxa-5-azaspiro[3.5]nonan-5-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one is O=c1[nH]nc(CN2CCOCC23CCC3)[nH]1.
What is the InChIKey of 3-(8-oxa-5-azaspiro[3.5]nonan-5-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is UHTWVFAFSQZPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c15-9-11-8(12-13-9)6-14-4-5-16-7-10(14)2-1-3-10/h1-7H2,(H2,11,12,13,15).
What are the key properties of 3-(8-oxa-5-azaspiro[3.5]nonan-5-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one?
3-(8-oxa-5-azaspiro[3.5]nonan-5-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 224.26 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-oxa-5-azaspiro[3.5]nonan-5-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 137214696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).