2-ethoxy-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C10H14N4O3 — CID 136980062

IUPAC2-ethoxy-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCOc1nc2[nH]c(=O)c(CCO)c(C)n2n1
InChIInChI=1S/C10H14N4O3/c1-3-17-10-12-9-11-8(16)7(4-5-15)6(2)14(9)13-10/h15H,3-5H2,1-2H3,(H,11,12,13,16)
InChIKeyFCTZPWGVZQHIRG-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.34
Rot. Bonds4

About 2-ethoxy-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

2-ethoxy-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 136980062) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-ethoxy-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-ethoxy-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID136980062
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name2-ethoxy-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCOc1nc2[nH]c(=O)c(CCO)c(C)n2n1
InChIInChI=1S/C10H14N4O3/c1-3-17-10-12-9-11-8(16)7(4-5-15)6(2)14(9)13-10/h15H,3-5H2,1-2H3,(H,11,12,13,16)
InChIKeyFCTZPWGVZQHIRG-UHFFFAOYSA-N
XLogP-0.34
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-ethoxy-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 136980062) is 2-ethoxy-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-ethoxy-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-ethoxy-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CCOc1nc2[nH]c(=O)c(CCO)c(C)n2n1.
What is the InChIKey of 2-ethoxy-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is FCTZPWGVZQHIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-3-17-10-12-9-11-8(16)7(4-5-15)6(2)14(9)13-10/h15H,3-5H2,1-2H3,(H,11,12,13,16).
What are the key properties of 2-ethoxy-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
2-ethoxy-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 238.25 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 136980062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).