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

C11H16N4O — CID 137004067

IUPAC7-tert-butyl-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCc1nc2[nH]c(=O)cc(C(C)(C)C)n2n1
InChIInChI=1S/C11H16N4O/c1-5-8-12-10-13-9(16)6-7(11(2,3)4)15(10)14-8/h6H,5H2,1-4H3,(H,12,13,14,16)
InChIKeyJDYCKBVXBNGKDQ-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.28
Rot. Bonds1

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

7-tert-butyl-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 137004067) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 7-tert-butyl-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-tert-butyl-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID137004067
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name7-tert-butyl-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCc1nc2[nH]c(=O)cc(C(C)(C)C)n2n1
InChIInChI=1S/C11H16N4O/c1-5-8-12-10-13-9(16)6-7(11(2,3)4)15(10)14-8/h6H,5H2,1-4H3,(H,12,13,14,16)
InChIKeyJDYCKBVXBNGKDQ-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 7-tert-butyl-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-tert-butyl-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 137004067) is 7-tert-butyl-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-tert-butyl-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-tert-butyl-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CCc1nc2[nH]c(=O)cc(C(C)(C)C)n2n1.
What is the InChIKey of 7-tert-butyl-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is JDYCKBVXBNGKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-5-8-12-10-13-9(16)6-7(11(2,3)4)15(10)14-8/h6H,5H2,1-4H3,(H,12,13,14,16).
What are the key properties of 7-tert-butyl-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
7-tert-butyl-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-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 7-tert-butyl-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137004067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).