(5R,6R)-6-methyl-3-[(2-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C18H21N5O2 — CID 51951203

IUPAC(5R,6R)-6-methyl-3-[(2-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H]1CCCC[C@@]12NC(=O)N(Cc1cnn(-c3ccccc3)n1)C2=O
InChIInChI=1S/C18H21N5O2/c1-13-7-5-6-10-18(13)16(24)22(17(25)20-18)12-14-11-19-23(21-14)15-8-3-2-4-9-15/h2-4,8-9,11,13H,5-7,10,12H2,1H3,(H,20,25)/t13-,18-/m1/s1
InChIKeyUPWRGKRBCHXCOI-FZKQIMNGSA-N
MW339.40 g/mol
LogP2.27
Rot. Bonds3

About (5R,6R)-6-methyl-3-[(2-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

(5R,6R)-6-methyl-3-[(2-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 51951203) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is (5R,6R)-6-methyl-3-[(2-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5R,6R)-6-methyl-3-[(2-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID51951203
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name(5R,6R)-6-methyl-3-[(2-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H]1CCCC[C@@]12NC(=O)N(Cc1cnn(-c3ccccc3)n1)C2=O
InChIInChI=1S/C18H21N5O2/c1-13-7-5-6-10-18(13)16(24)22(17(25)20-18)12-14-11-19-23(21-14)15-8-3-2-4-9-15/h2-4,8-9,11,13H,5-7,10,12H2,1H3,(H,20,25)/t13-,18-/m1/s1
InChIKeyUPWRGKRBCHXCOI-FZKQIMNGSA-N
XLogP2.27
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R,6S)-3-[(1,3-diphenylpyrazol-4-yl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7703185
(5R,6S)-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 40971920
6-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17441020
(5S,6S)-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8943443
3,4-dimethyl-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidine-2,5-dione
CID 75376279
2-[(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzonitrile
CID 3984831
(5S,6S)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7265698
(5R,6S)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7265700
(5S,6S)-6-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 40973285
(5R,6R)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9441602
(5R,6S)-3-[[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 30014671
(5R,6R)-6-methyl-3-[(3-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 40898355

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-6-methyl-3-[(2-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (5R,6R)-6-methyl-3-[(2-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 51951203) is (5R,6R)-6-methyl-3-[(2-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5R,6R)-6-methyl-3-[(2-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5R,6R)-6-methyl-3-[(2-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1cnn(-c3ccccc3)n1)C2=O.
What is the InChIKey of (5R,6R)-6-methyl-3-[(2-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is UPWRGKRBCHXCOI-FZKQIMNGSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-13-7-5-6-10-18(13)16(24)22(17(25)20-18)12-14-11-19-23(21-14)15-8-3-2-4-9-15/h2-4,8-9,11,13H,5-7,10,12H2,1H3,(H,20,25)/t13-,18-/m1/s1.
What are the key properties of (5R,6R)-6-methyl-3-[(2-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
(5R,6R)-6-methyl-3-[(2-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 339.40 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-6-methyl-3-[(2-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 51951203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).