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

C8H10N4O3 — CID 136773998

IUPAC6-ethyl-2-methoxy-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione
SMILESCCC1C(=O)Nc2nc(OC)nn2C1=O
InChIInChI=1S/C8H10N4O3/c1-3-4-5(13)9-7-10-8(15-2)11-12(7)6(4)14/h4H,3H2,1-2H3,(H,9,10,11,13)
InChIKeyOHNPPJGUJBNIIJ-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.09
Rot. Bonds2

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

6-ethyl-2-methoxy-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione (PubChem CID 136773998) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is 6-ethyl-2-methoxy-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione.

Molecular Properties

Compound Name6-ethyl-2-methoxy-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione
PubChem CID136773998
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name6-ethyl-2-methoxy-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione
SMILESCCC1C(=O)Nc2nc(OC)nn2C1=O
InChIInChI=1S/C8H10N4O3/c1-3-4-5(13)9-7-10-8(15-2)11-12(7)6(4)14/h4H,3H2,1-2H3,(H,9,10,11,13)
InChIKeyOHNPPJGUJBNIIJ-UHFFFAOYSA-N
XLogP-0.09
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(Propan-2-yl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione
CID 136773899
6-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione
CID 137305471
2-Amino[1,2,4]triazolo[1,5-a]pyrimidine-5,7(4H,6H)-dione
CID 136279940
2-amino-6-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione
CID 136286121
2-amino-6-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione
CID 136286145
2-aminospiro[4H-[1,2,4]triazolo[1,5-a]pyrimidine-6,1'-cyclopropane]-5,7-dione
CID 136286160
2-amino-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione
CID 136286166
2-amino-6,6-diethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione
CID 136286172
2-amino-6,6-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione
CID 136286176
2-amino-6-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione
CID 136286180
2-methoxy-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione
CID 136773887
6-ethyl-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione
CID 136773900

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methoxy-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione?
The IUPAC name of 6-ethyl-2-methoxy-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione (CID 136773998) is 6-ethyl-2-methoxy-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione.
What is the SMILES notation for 6-ethyl-2-methoxy-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione?
The canonical SMILES for 6-ethyl-2-methoxy-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione is CCC1C(=O)Nc2nc(OC)nn2C1=O.
What is the InChIKey of 6-ethyl-2-methoxy-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione?
The InChIKey is OHNPPJGUJBNIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c1-3-4-5(13)9-7-10-8(15-2)11-12(7)6(4)14/h4H,3H2,1-2H3,(H,9,10,11,13).
What are the key properties of 6-ethyl-2-methoxy-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione?
6-ethyl-2-methoxy-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione has a molecular weight of 210.19 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methoxy-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione is sourced from PubChem (CID 136773998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).