3-[(1-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

C18H21N5O2 — CID 163355154

IUPAC3-[(1-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESO=C1NC2(CCCCCC2)C(=O)N1Cc1cn(-c2ccccc2)nn1
InChIInChI=1S/C18H21N5O2/c24-16-18(10-6-1-2-7-11-18)19-17(25)22(16)12-14-13-23(21-20-14)15-8-4-3-5-9-15/h3-5,8-9,13H,1-2,6-7,10-12H2,(H,19,25)
InChIKeyHGKUANKQTWFGOU-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.41
Rot. Bonds3

About 3-[(1-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

3-[(1-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (PubChem CID 163355154) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-[(1-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name3-[(1-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
PubChem CID163355154
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name3-[(1-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESO=C1NC2(CCCCCC2)C(=O)N1Cc1cn(-c2ccccc2)nn1
InChIInChI=1S/C18H21N5O2/c24-16-18(10-6-1-2-7-11-18)19-17(25)22(16)12-14-13-23(21-20-14)15-8-4-3-5-9-15/h3-5,8-9,13H,1-2,6-7,10-12H2,(H,19,25)
InChIKeyHGKUANKQTWFGOU-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
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

3-[(1-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 163355134
7-[[1-(3-fluorophenyl)triazol-4-yl]methyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 166604514
3-[[1-[(2-fluorophenyl)methyl]triazol-4-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 163355100
3-[[1-(cyclohexylmethyl)triazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 163355073
3-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 165431747
5,5-diphenyl-1,3-bis[(1-phenyltriazol-4-yl)methyl]imidazolidine-2,4-dione
CID 146037910
3-[(6-amino-2-pyridinyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 79232630
3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4825856
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 112774081
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4810094
9-[(1-phenyltriazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecane
CID 77095087
3-(1,3-benzothiazol-2-ylmethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2701734

Frequently Asked Questions

What is the IUPAC name of 3-[(1-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 3-[(1-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (CID 163355154) is 3-[(1-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 3-[(1-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 3-[(1-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is O=C1NC2(CCCCCC2)C(=O)N1Cc1cn(-c2ccccc2)nn1.
What is the InChIKey of 3-[(1-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The InChIKey is HGKUANKQTWFGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-16-18(10-6-1-2-7-11-18)19-17(25)22(16)12-14-13-23(21-20-14)15-8-4-3-5-9-15/h3-5,8-9,13H,1-2,6-7,10-12H2,(H,19,25).
What are the key properties of 3-[(1-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
3-[(1-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione has a molecular weight of 339.40 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 163355154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).