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

C11H14N4O2 — CID 137015331

IUPAC2-cyclopropyl-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCc1c(CCO)c(=O)[nH]c2nc(C3CC3)nn12
InChIInChI=1S/C11H14N4O2/c1-6-8(4-5-16)10(17)13-11-12-9(7-2-3-7)14-15(6)11/h7,16H,2-5H2,1H3,(H,12,13,14,17)
InChIKeyIPDVUZDFJKUVCK-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.14
Rot. Bonds3

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

2-cyclopropyl-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 137015331) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-cyclopropyl-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-cyclopropyl-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID137015331
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2-cyclopropyl-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCc1c(CCO)c(=O)[nH]c2nc(C3CC3)nn12
InChIInChI=1S/C11H14N4O2/c1-6-8(4-5-16)10(17)13-11-12-9(7-2-3-7)14-15(6)11/h7,16H,2-5H2,1H3,(H,12,13,14,17)
InChIKeyIPDVUZDFJKUVCK-UHFFFAOYSA-N
XLogP0.14
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-cyclopropyl-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 137015331) is 2-cyclopropyl-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-cyclopropyl-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-cyclopropyl-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is Cc1c(CCO)c(=O)[nH]c2nc(C3CC3)nn12.
What is the InChIKey of 2-cyclopropyl-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is IPDVUZDFJKUVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-6-8(4-5-16)10(17)13-11-12-9(7-2-3-7)14-15(6)11/h7,16H,2-5H2,1H3,(H,12,13,14,17).
What are the key properties of 2-cyclopropyl-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
2-cyclopropyl-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 234.26 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(2-hydroxyethyl)-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137015331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).