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

C8H10N4O — CID 696270

IUPAC6-ethyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2nc[nH]n2c1=O
InChIInChI=1S/C8H10N4O/c1-3-6-5(2)11-8-9-4-10-12(8)7(6)13/h4H,3H2,1-2H3,(H,9,10,11)
InChIKeyNNSSJVCLVPSZNF-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.29
Rot. Bonds1

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

6-ethyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 696270) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 6-ethyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-ethyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID696270
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name6-ethyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2nc[nH]n2c1=O
InChIInChI=1S/C8H10N4O/c1-3-6-5(2)11-8-9-4-10-12(8)7(6)13/h4H,3H2,1-2H3,(H,9,10,11)
InChIKeyNNSSJVCLVPSZNF-UHFFFAOYSA-N
XLogP0.29
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-ethyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 696270) is 6-ethyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-ethyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-ethyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCc1c(C)nc2nc[nH]n2c1=O.
What is the InChIKey of 6-ethyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is NNSSJVCLVPSZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-3-6-5(2)11-8-9-4-10-12(8)7(6)13/h4H,3H2,1-2H3,(H,9,10,11).
What are the key properties of 6-ethyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
6-ethyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 178.19 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 696270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).