(5S,6R)-6-methyl-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C17H21N5O3 — CID 92854308

IUPAC(5S,6R)-6-methyl-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H]1CCCC[C@]12NC(=O)N(CCn1nc3ccccn3c1=O)C2=O
InChIInChI=1S/C17H21N5O3/c1-12-6-2-4-8-17(12)14(23)21(15(24)18-17)10-11-22-16(25)20-9-5-3-7-13(20)19-22/h3,5,7,9,12H,2,4,6,8,10-11H2,1H3,(H,18,24)/t12-,17+/m1/s1
InChIKeyWYZASFKABZCGNI-PXAZEXFGSA-N
MW343.39 g/mol
LogP1.00
Rot. Bonds3

About (5S,6R)-6-methyl-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

(5S,6R)-6-methyl-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 92854308) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is (5S,6R)-6-methyl-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5S,6R)-6-methyl-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID92854308
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name(5S,6R)-6-methyl-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H]1CCCC[C@]12NC(=O)N(CCn1nc3ccccn3c1=O)C2=O
InChIInChI=1S/C17H21N5O3/c1-12-6-2-4-8-17(12)14(23)21(15(24)18-17)10-11-22-16(25)20-9-5-3-7-13(20)19-22/h3,5,7,9,12H,2,4,6,8,10-11H2,1H3,(H,18,24)/t12-,17+/m1/s1
InChIKeyWYZASFKABZCGNI-PXAZEXFGSA-N
XLogP1.00
TPSA88.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S,6R)-6-methyl-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (5S,6R)-6-methyl-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 92854308) is (5S,6R)-6-methyl-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5S,6R)-6-methyl-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5S,6R)-6-methyl-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is C[C@@H]1CCCC[C@]12NC(=O)N(CCn1nc3ccccn3c1=O)C2=O.
What is the InChIKey of (5S,6R)-6-methyl-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is WYZASFKABZCGNI-PXAZEXFGSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-12-6-2-4-8-17(12)14(23)21(15(24)18-17)10-11-22-16(25)20-9-5-3-7-13(20)19-22/h3,5,7,9,12H,2,4,6,8,10-11H2,1H3,(H,18,24)/t12-,17+/m1/s1.
What are the key properties of (5S,6R)-6-methyl-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
(5S,6R)-6-methyl-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 343.39 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-6-methyl-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 92854308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).