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

C5H4N4O2 — CID 4737428

IUPAC4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione
SMILESO=C1CC(=O)n2ncnc2N1
InChIInChI=1S/C5H4N4O2/c10-3-1-4(11)9-5(8-3)6-2-7-9/h2H,1H2,(H,6,7,8,10)
InChIKeyHIPUIIULBPMUGO-UHFFFAOYSA-N
MW152.11 g/mol
LogP-0.74
Rot. Bonds

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

4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione (PubChem CID 4737428) has the molecular formula C5H4N4O2 and a molecular weight of 152.11 g/mol. Its IUPAC name is 4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione.

Molecular Properties

Compound Name4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione
PubChem CID4737428
Molecular FormulaC5H4N4O2
Molecular Weight152.11 g/mol
Exact Mass152.03
IUPAC Name4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione
SMILESO=C1CC(=O)n2ncnc2N1
InChIInChI=1S/C5H4N4O2/c10-3-1-4(11)9-5(8-3)6-2-7-9/h2H,1H2,(H,6,7,8,10)
InChIKeyHIPUIIULBPMUGO-UHFFFAOYSA-N
XLogP-0.74
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 5-0.74
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 4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione?
The IUPAC name of 4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione (CID 4737428) is 4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione.
What is the SMILES notation for 4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione?
The canonical SMILES for 4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione is O=C1CC(=O)n2ncnc2N1.
What is the InChIKey of 4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione?
The InChIKey is HIPUIIULBPMUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O2/c10-3-1-4(11)9-5(8-3)6-2-7-9/h2H,1H2,(H,6,7,8,10).
What are the key properties of 4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione?
4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione has a molecular weight of 152.11 g/mol, XLogP of -0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione is sourced from PubChem (CID 4737428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).