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

C10H14N4O2 — CID 137004078

IUPAC2-ethyl-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCc1nc2[nH]c(=O)c(CCO)c(C)n2n1
InChIInChI=1S/C10H14N4O2/c1-3-8-11-10-12-9(16)7(4-5-15)6(2)14(10)13-8/h15H,3-5H2,1-2H3,(H,11,12,13,16)
InChIKeyUJPOXAOTLYJFIK-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.18
Rot. Bonds3

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

2-ethyl-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 137004078) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-ethyl-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-ethyl-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID137004078
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name2-ethyl-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCc1nc2[nH]c(=O)c(CCO)c(C)n2n1
InChIInChI=1S/C10H14N4O2/c1-3-8-11-10-12-9(16)7(4-5-15)6(2)14(10)13-8/h15H,3-5H2,1-2H3,(H,11,12,13,16)
InChIKeyUJPOXAOTLYJFIK-UHFFFAOYSA-N
XLogP-0.18
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-ethyl-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 137004078) is 2-ethyl-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-ethyl-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-ethyl-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CCc1nc2[nH]c(=O)c(CCO)c(C)n2n1.
What is the InChIKey of 2-ethyl-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is UJPOXAOTLYJFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-3-8-11-10-12-9(16)7(4-5-15)6(2)14(10)13-8/h15H,3-5H2,1-2H3,(H,11,12,13,16).
What are the key properties of 2-ethyl-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
2-ethyl-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 222.25 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137004078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).