2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide

C7H8N6O3 — CID 61381398

IUPAC2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(CN1C(=O)CNC1=O)Nc1ncn[nH]1
InChIInChI=1S/C7H8N6O3/c14-4(11-6-9-3-10-12-6)2-13-5(15)1-8-7(13)16/h3H,1-2H2,(H,8,16)(H2,9,10,11,12,14)
InChIKeyUJDSSEVFCMSCPU-UHFFFAOYSA-N
MW224.18 g/mol
LogP-1.71
Rot. Bonds3

About 2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide

2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 61381398) has the molecular formula C7H8N6O3 and a molecular weight of 224.18 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID61381398
Molecular FormulaC7H8N6O3
Molecular Weight224.18 g/mol
Exact Mass224.07
IUPAC Name2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(CN1C(=O)CNC1=O)Nc1ncn[nH]1
InChIInChI=1S/C7H8N6O3/c14-4(11-6-9-3-10-12-6)2-13-5(15)1-8-7(13)16/h3H,1-2H2,(H,8,16)(H2,9,10,11,12,14)
InChIKeyUJDSSEVFCMSCPU-UHFFFAOYSA-N
XLogP-1.71
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 5-1.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,2,4-Triazolylimidazolidine-2,4-dione
CID 129878288
2,2,2-trifluoro-N-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]acetamide
CID 84432051
2-(2,5-dioxopyrrolidin-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 57583347
1-(1H-1,2,4-triazol-5-yl)imidazolidin-2-one
CID 67312223
2-amino-N-ethyl-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 69033666
2-(1,2,4-Triazol-1-yl)imidazolidin-4-one
CID 174360927
N-(1H-1,2,4-triazol-3-yl)(2-oxoimidazolidinyl)carboxamide
CID 1285966
2-pyrrolidin-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 18873856
2-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 18873857
2-(diethylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 18873858
2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 18873861
2,2-dimethyl-N-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]propanamide
CID 33512903

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 61381398) is 2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide is O=C(CN1C(=O)CNC1=O)Nc1ncn[nH]1.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is UJDSSEVFCMSCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O3/c14-4(11-6-9-3-10-12-6)2-13-5(15)1-8-7(13)16/h3H,1-2H2,(H,8,16)(H2,9,10,11,12,14).
What are the key properties of 2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 224.18 g/mol, XLogP of -1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 61381398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).