6-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione

C7H8N4O2 — CID 136773900

IUPAC6-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione
SMILESCCC1C(=O)Nc2ncnn2C1=O
InChIInChI=1S/C7H8N4O2/c1-2-4-5(12)10-7-8-3-9-11(7)6(4)13/h3-4H,2H2,1H3,(H,8,9,10,12)
InChIKeyPDFGPFDXAVVNIO-UHFFFAOYSA-N
MW180.17 g/mol
LogP-0.10
Rot. Bonds1

About 6-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione

6-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione (PubChem CID 136773900) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 6-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione.

Molecular Properties

Compound Name6-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione
PubChem CID136773900
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name6-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione
SMILESCCC1C(=O)Nc2ncnn2C1=O
InChIInChI=1S/C7H8N4O2/c1-2-4-5(12)10-7-8-3-9-11(7)6(4)13/h3-4H,2H2,1H3,(H,8,9,10,12)
InChIKeyPDFGPFDXAVVNIO-UHFFFAOYSA-N
XLogP-0.10
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione?
The IUPAC name of 6-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione (CID 136773900) is 6-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione.
What is the SMILES notation for 6-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione?
The canonical SMILES for 6-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione is CCC1C(=O)Nc2ncnn2C1=O.
What is the InChIKey of 6-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione?
The InChIKey is PDFGPFDXAVVNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2/c1-2-4-5(12)10-7-8-3-9-11(7)6(4)13/h3-4H,2H2,1H3,(H,8,9,10,12).
What are the key properties of 6-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione?
6-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione has a molecular weight of 180.17 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione is sourced from PubChem (CID 136773900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).