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

C8H10N4O2 — CID 136773899

IUPAC6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione
SMILESCC(C)C1C(=O)Nc2ncnn2C1=O
InChIInChI=1S/C8H10N4O2/c1-4(2)5-6(13)11-8-9-3-10-12(8)7(5)14/h3-5H,1-2H3,(H,9,10,11,13)
InChIKeyBMAKXJXKWBYNKJ-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.14
Rot. Bonds1

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

6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione (PubChem CID 136773899) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione.

Molecular Properties

Compound Name6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione
PubChem CID136773899
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione
SMILESCC(C)C1C(=O)Nc2ncnn2C1=O
InChIInChI=1S/C8H10N4O2/c1-4(2)5-6(13)11-8-9-3-10-12(8)7(5)14/h3-5H,1-2H3,(H,9,10,11,13)
InChIKeyBMAKXJXKWBYNKJ-UHFFFAOYSA-N
XLogP0.14
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.14
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-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione?
The IUPAC name of 6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione (CID 136773899) is 6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione.
What is the SMILES notation for 6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione?
The canonical SMILES for 6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione is CC(C)C1C(=O)Nc2ncnn2C1=O.
What is the InChIKey of 6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione?
The InChIKey is BMAKXJXKWBYNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-4(2)5-6(13)11-8-9-3-10-12(8)7(5)14/h3-5H,1-2H3,(H,9,10,11,13).
What are the key properties of 6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione?
6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione has a molecular weight of 194.19 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione is sourced from PubChem (CID 136773899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).