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

C9H12N4O — CID 136773952

IUPAC7-ethyl-2,6-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCc1c(C)c(=O)[nH]c2nc(C)nn12
InChIInChI=1S/C9H12N4O/c1-4-7-5(2)8(14)11-9-10-6(3)12-13(7)9/h4H2,1-3H3,(H,10,11,12,14)
InChIKeyPILKZWQGAIYTCG-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.60
Rot. Bonds1

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

7-ethyl-2,6-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 136773952) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 7-ethyl-2,6-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-ethyl-2,6-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID136773952
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name7-ethyl-2,6-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCc1c(C)c(=O)[nH]c2nc(C)nn12
InChIInChI=1S/C9H12N4O/c1-4-7-5(2)8(14)11-9-10-6(3)12-13(7)9/h4H2,1-3H3,(H,10,11,12,14)
InChIKeyPILKZWQGAIYTCG-UHFFFAOYSA-N
XLogP0.60
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-(2-fluoroethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 136326852
3-methyl-5-propyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one
CID 155811456
4-Methyl-2,5,6-tri(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 130286675
2,4,5,6-Tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 130287913
2-Methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 136773950
Trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 136773977
6-(2-aminoethyl)-3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one
CID 136310263
6-(2-aminoethyl)-2,7-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 136326795
6-(2-aminoethyl)-7-methyl-2-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 136345047
6-(2-hydroxyethyl)-2,7-dimethyl-4H,5H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 136773953
2-Methyl-7-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 136773955
2-Methyl-7-(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 136773956

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2,6-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-ethyl-2,6-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 136773952) is 7-ethyl-2,6-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-ethyl-2,6-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-ethyl-2,6-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CCc1c(C)c(=O)[nH]c2nc(C)nn12.
What is the InChIKey of 7-ethyl-2,6-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is PILKZWQGAIYTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-4-7-5(2)8(14)11-9-10-6(3)12-13(7)9/h4H2,1-3H3,(H,10,11,12,14).
What are the key properties of 7-ethyl-2,6-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
7-ethyl-2,6-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 192.22 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2,6-dimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 136773952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).