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

C11H16N4O2 — CID 17067689

IUPAC6-(2-hydroxyethyl)-5-methyl-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1nc2nc(C)c(CCO)c(=O)n2[nH]1
InChIInChI=1S/C11H16N4O2/c1-3-4-9-13-11-12-7(2)8(5-6-16)10(17)15(11)14-9/h16H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyACELNXJPKAPCSM-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.21
Rot. Bonds4

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

6-(2-hydroxyethyl)-5-methyl-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 17067689) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-(2-hydroxyethyl)-5-methyl-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-hydroxyethyl)-5-methyl-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID17067689
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name6-(2-hydroxyethyl)-5-methyl-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1nc2nc(C)c(CCO)c(=O)n2[nH]1
InChIInChI=1S/C11H16N4O2/c1-3-4-9-13-11-12-7(2)8(5-6-16)10(17)15(11)14-9/h16H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyACELNXJPKAPCSM-UHFFFAOYSA-N
XLogP0.21
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethyl)-5-methyl-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-(2-hydroxyethyl)-5-methyl-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 17067689) is 6-(2-hydroxyethyl)-5-methyl-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-(2-hydroxyethyl)-5-methyl-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(2-hydroxyethyl)-5-methyl-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCCc1nc2nc(C)c(CCO)c(=O)n2[nH]1.
What is the InChIKey of 6-(2-hydroxyethyl)-5-methyl-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ACELNXJPKAPCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-3-4-9-13-11-12-7(2)8(5-6-16)10(17)15(11)14-9/h16H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of 6-(2-hydroxyethyl)-5-methyl-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
6-(2-hydroxyethyl)-5-methyl-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 236.27 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethyl)-5-methyl-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 17067689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).