2-ethyl-7-(methoxymethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C9H12N4O2 — CID 137004097

IUPAC2-ethyl-7-(methoxymethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCc1nc2[nH]c(=O)cc(COC)n2n1
InChIInChI=1S/C9H12N4O2/c1-3-7-10-9-11-8(14)4-6(5-15-2)13(9)12-7/h4H,3,5H2,1-2H3,(H,10,11,12,14)
InChIKeyJZDLCZXCNCJBKC-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.13
Rot. Bonds3

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

2-ethyl-7-(methoxymethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 137004097) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-ethyl-7-(methoxymethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-ethyl-7-(methoxymethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID137004097
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name2-ethyl-7-(methoxymethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCc1nc2[nH]c(=O)cc(COC)n2n1
InChIInChI=1S/C9H12N4O2/c1-3-7-10-9-11-8(14)4-6(5-15-2)13(9)12-7/h4H,3,5H2,1-2H3,(H,10,11,12,14)
InChIKeyJZDLCZXCNCJBKC-UHFFFAOYSA-N
XLogP0.13
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-(methoxymethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-ethyl-7-(methoxymethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 137004097) is 2-ethyl-7-(methoxymethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-ethyl-7-(methoxymethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-ethyl-7-(methoxymethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CCc1nc2[nH]c(=O)cc(COC)n2n1.
What is the InChIKey of 2-ethyl-7-(methoxymethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is JZDLCZXCNCJBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-3-7-10-9-11-8(14)4-6(5-15-2)13(9)12-7/h4H,3,5H2,1-2H3,(H,10,11,12,14).
What are the key properties of 2-ethyl-7-(methoxymethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
2-ethyl-7-(methoxymethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 208.22 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-(methoxymethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137004097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).