2-ethyl-7-methyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C11H16N4O — CID 137004101

IUPAC2-ethyl-7-methyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCc1nc2[nH]c(=O)c(C(C)C)c(C)n2n1
InChIInChI=1S/C11H16N4O/c1-5-8-12-11-13-10(16)9(6(2)3)7(4)15(11)14-8/h6H,5H2,1-4H3,(H,12,13,14,16)
InChIKeyFFUKWKOQQXHFHT-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.41
Rot. Bonds2

About 2-ethyl-7-methyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

2-ethyl-7-methyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 137004101) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-ethyl-7-methyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-ethyl-7-methyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID137004101
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-ethyl-7-methyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCc1nc2[nH]c(=O)c(C(C)C)c(C)n2n1
InChIInChI=1S/C11H16N4O/c1-5-8-12-11-13-10(16)9(6(2)3)7(4)15(11)14-8/h6H,5H2,1-4H3,(H,12,13,14,16)
InChIKeyFFUKWKOQQXHFHT-UHFFFAOYSA-N
XLogP1.41
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-ethyl-7-methyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 137004101) is 2-ethyl-7-methyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-ethyl-7-methyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-ethyl-7-methyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CCc1nc2[nH]c(=O)c(C(C)C)c(C)n2n1.
What is the InChIKey of 2-ethyl-7-methyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is FFUKWKOQQXHFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-5-8-12-11-13-10(16)9(6(2)3)7(4)15(11)14-8/h6H,5H2,1-4H3,(H,12,13,14,16).
What are the key properties of 2-ethyl-7-methyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
2-ethyl-7-methyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 220.28 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137004101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).