5-tert-butyl-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C11H16N4O — CID 17079252

IUPAC5-tert-butyl-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1nc2nc(C(C)(C)C)cc(=O)n2[nH]1
InChIInChI=1S/C11H16N4O/c1-5-8-13-10-12-7(11(2,3)4)6-9(16)15(10)14-8/h6H,5H2,1-4H3,(H,12,13,14)
InChIKeyLZWCQXOFKPXNDM-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.28
Rot. Bonds1

About 5-tert-butyl-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-tert-butyl-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 17079252) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 5-tert-butyl-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-tert-butyl-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID17079252
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name5-tert-butyl-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1nc2nc(C(C)(C)C)cc(=O)n2[nH]1
InChIInChI=1S/C11H16N4O/c1-5-8-13-10-12-7(11(2,3)4)6-9(16)15(10)14-8/h6H,5H2,1-4H3,(H,12,13,14)
InChIKeyLZWCQXOFKPXNDM-UHFFFAOYSA-N
XLogP1.28
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-tert-butyl-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 17079252) is 5-tert-butyl-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-tert-butyl-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-tert-butyl-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCc1nc2nc(C(C)(C)C)cc(=O)n2[nH]1.
What is the InChIKey of 5-tert-butyl-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is LZWCQXOFKPXNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-5-8-13-10-12-7(11(2,3)4)6-9(16)15(10)14-8/h6H,5H2,1-4H3,(H,12,13,14).
What are the key properties of 5-tert-butyl-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-tert-butyl-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 220.28 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 17079252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).