2-methyl-6-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane-4-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

C17H27N5O3 — CID 138807771

IUPAC2-methyl-6-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane-4-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCN1CCN(C(=O)C2CCc3nn(C)c(=O)n3C2)CC12CCOCC2
InChIInChI=1S/C17H27N5O3/c1-19-7-8-21(12-17(19)5-9-25-10-6-17)15(23)13-3-4-14-18-20(2)16(24)22(14)11-13/h13H,3-12H2,1-2H3
InChIKeyGPOQOUQNCSNKOI-UHFFFAOYSA-N
MW349.44 g/mol
LogP-0.53
Rot. Bonds1

About 2-methyl-6-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane-4-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-methyl-6-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane-4-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 138807771) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-methyl-6-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane-4-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-methyl-6-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane-4-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID138807771
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name2-methyl-6-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane-4-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCN1CCN(C(=O)C2CCc3nn(C)c(=O)n3C2)CC12CCOCC2
InChIInChI=1S/C17H27N5O3/c1-19-7-8-21(12-17(19)5-9-25-10-6-17)15(23)13-3-4-14-18-20(2)16(24)22(14)11-13/h13H,3-12H2,1-2H3
InChIKeyGPOQOUQNCSNKOI-UHFFFAOYSA-N
XLogP-0.53
TPSA72.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methyl-6-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane-4-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Related Compounds

6-[(4-ethyl-3,3-dimethylpiperazin-1-yl)carbonyl]-2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
CID 91798335
2-[2-(dimethylamino)ethyl]-4-ethyl-5-[1-(tetrahydro-2H-pyran-4-ylcarbonyl)piperidin-3-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56705643
2-Methyl-6-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 56873416
2-methyl-6-{[4-(tetrahydro-2H-pyran-4-yl)piperazin-1-yl]carbonyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
CID 91778817
2-[2-(dimethylamino)ethyl]-4-ethyl-5-[(3R)-1-(oxane-4-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one
CID 95199936
2-[2-(dimethylamino)ethyl]-4-ethyl-5-[(3S)-1-(oxane-4-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one
CID 95199937
(6S)-2-methyl-6-[4-(oxan-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 100058859
(6R)-2-methyl-6-[4-(oxan-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 100058860
(6R)-6-(4-ethyl-3,3-dimethylpiperazine-1-carbonyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 100339946
1-Methyl-3-[1-(oxane-4-carbonyl)piperidin-3-YL]-4-(propan-2-YL)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 124072037
(6S)-6-(4-ethyl-3,3-dimethylpiperazine-1-carbonyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 124680107
6-[4-[2-(oxan-4-yl)acetyl]piperazine-1-carbonyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 167746238

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane-4-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-methyl-6-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane-4-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 138807771) is 2-methyl-6-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane-4-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-methyl-6-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane-4-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-methyl-6-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane-4-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is CN1CCN(C(=O)C2CCc3nn(C)c(=O)n3C2)CC12CCOCC2.
What is the InChIKey of 2-methyl-6-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane-4-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is GPOQOUQNCSNKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-19-7-8-21(12-17(19)5-9-25-10-6-17)15(23)13-3-4-14-18-20(2)16(24)22(14)11-13/h13H,3-12H2,1-2H3.
What are the key properties of 2-methyl-6-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane-4-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-methyl-6-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane-4-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 349.44 g/mol, XLogP of -0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane-4-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 138807771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).