2-cyclopropyl-4-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C12H16N4O — CID 141276237

IUPAC2-cyclopropyl-4-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCCc1cc(=O)n(C)c2nc(C3CC3)nn12
InChIInChI=1S/C12H16N4O/c1-3-4-9-7-10(17)15(2)12-13-11(8-5-6-8)14-16(9)12/h7-8H,3-6H2,1-2H3
InChIKeyYCCWULZIICSZBY-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.26
Rot. Bonds3

About 2-cyclopropyl-4-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

2-cyclopropyl-4-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 141276237) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-cyclopropyl-4-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-cyclopropyl-4-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID141276237
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-cyclopropyl-4-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCCc1cc(=O)n(C)c2nc(C3CC3)nn12
InChIInChI=1S/C12H16N4O/c1-3-4-9-7-10(17)15(2)12-13-11(8-5-6-8)14-16(9)12/h7-8H,3-6H2,1-2H3
InChIKeyYCCWULZIICSZBY-UHFFFAOYSA-N
XLogP1.26
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-cyclopropyl-4-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 141276237) is 2-cyclopropyl-4-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-cyclopropyl-4-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-cyclopropyl-4-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CCCc1cc(=O)n(C)c2nc(C3CC3)nn12.
What is the InChIKey of 2-cyclopropyl-4-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is YCCWULZIICSZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-3-4-9-7-10(17)15(2)12-13-11(8-5-6-8)14-16(9)12/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-cyclopropyl-4-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
2-cyclopropyl-4-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 232.29 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 141276237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).