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

C8H10N4O — CID 137004086

IUPAC2-ethyl-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCc1nc2[nH]c(=O)cc(C)n2n1
InChIInChI=1S/C8H10N4O/c1-3-6-9-8-10-7(13)4-5(2)12(8)11-6/h4H,3H2,1-2H3,(H,9,10,11,13)
InChIKeyFMNYPEPPCSVHNW-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.29
Rot. Bonds1

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

2-ethyl-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 137004086) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-ethyl-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-ethyl-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID137004086
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name2-ethyl-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCc1nc2[nH]c(=O)cc(C)n2n1
InChIInChI=1S/C8H10N4O/c1-3-6-9-8-10-7(13)4-5(2)12(8)11-6/h4H,3H2,1-2H3,(H,9,10,11,13)
InChIKeyFMNYPEPPCSVHNW-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 2-ethyl-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-ethyl-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 137004086) is 2-ethyl-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-ethyl-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-ethyl-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CCc1nc2[nH]c(=O)cc(C)n2n1.
What is the InChIKey of 2-ethyl-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is FMNYPEPPCSVHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-3-6-9-8-10-7(13)4-5(2)12(8)11-6/h4H,3H2,1-2H3,(H,9,10,11,13).
What are the key properties of 2-ethyl-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
2-ethyl-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-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 2-ethyl-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137004086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).