3-(cyclopropylmethyl)-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione

C13H19N5O2 — CID 128993401

IUPAC3-(cyclopropylmethyl)-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESCC(C)n1cc(CC2NC(=O)N(CC3CC3)C2=O)nn1
InChIInChI=1S/C13H19N5O2/c1-8(2)18-7-10(15-16-18)5-11-12(19)17(13(20)14-11)6-9-3-4-9/h7-9,11H,3-6H2,1-2H3,(H,14,20)
InChIKeyXRHJKYGXEQWIFC-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.73
Rot. Bonds5

About 3-(cyclopropylmethyl)-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione

3-(cyclopropylmethyl)-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione (PubChem CID 128993401) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione
PubChem CID128993401
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name3-(cyclopropylmethyl)-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESCC(C)n1cc(CC2NC(=O)N(CC3CC3)C2=O)nn1
InChIInChI=1S/C13H19N5O2/c1-8(2)18-7-10(15-16-18)5-11-12(19)17(13(20)14-11)6-9-3-4-9/h7-9,11H,3-6H2,1-2H3,(H,14,20)
InChIKeyXRHJKYGXEQWIFC-UHFFFAOYSA-N
XLogP0.73
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.73
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)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione
CID 129325684
5-[(1-propan-2-yltriazol-4-yl)methyl]-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidine-2,4-dione
CID 129004218
(5S)-3-[(3,5-dichloro-2-pyridinyl)methyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione
CID 129327006
3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione
CID 166330041
3-[3-(3-chlorophenyl)propyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione
CID 166330037
N-[2-(cyclohexen-1-yl)ethyl]-2-[(4R)-2,5-dioxo-4-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidin-1-yl]acetamide
CID 129326259
(5S)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]imidazolidine-2,4-dione
CID 129326025
3-methyl-1-(1-propan-2-yltriazol-4-yl)butan-2-one
CID 118041108
(5S)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione
CID 129327963
(3aR)-1,1-dioxo-2-[(1-propan-2-yltriazol-4-yl)methyl]-3a,4,5,6-tetrahydropyrrolo[1,2-b][1,2,5]thiadiazol-3-one
CID 166267029
(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopentylmethyl)imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopropylmethyl)imidazolidine-2,4-dione
CID 161010316
5-(2-methylsulfanylethyl)-3-(piperidin-4-ylmethyl)imidazolidine-2,4-dione
CID 82148838

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-(cyclopropylmethyl)-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione (CID 128993401) is 3-(cyclopropylmethyl)-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-(cyclopropylmethyl)-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-(cyclopropylmethyl)-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione is CC(C)n1cc(CC2NC(=O)N(CC3CC3)C2=O)nn1.
What is the InChIKey of 3-(cyclopropylmethyl)-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is XRHJKYGXEQWIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-8(2)18-7-10(15-16-18)5-11-12(19)17(13(20)14-11)6-9-3-4-9/h7-9,11H,3-6H2,1-2H3,(H,14,20).
What are the key properties of 3-(cyclopropylmethyl)-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione?
3-(cyclopropylmethyl)-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 277.33 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 128993401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).