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

C13H18N4O — CID 141276258

IUPAC4-cyclobutyl-2-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCCc1cc(=O)n(C2CCC2)c2nc(C)nn12
InChIInChI=1S/C13H18N4O/c1-3-5-11-8-12(18)16(10-6-4-7-10)13-14-9(2)15-17(11)13/h8,10H,3-7H2,1-2H3
InChIKeyDICQOORMKKRYRA-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.88
Rot. Bonds3

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

4-cyclobutyl-2-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 141276258) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-cyclobutyl-2-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name4-cyclobutyl-2-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID141276258
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-cyclobutyl-2-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCCc1cc(=O)n(C2CCC2)c2nc(C)nn12
InChIInChI=1S/C13H18N4O/c1-3-5-11-8-12(18)16(10-6-4-7-10)13-14-9(2)15-17(11)13/h8,10H,3-7H2,1-2H3
InChIKeyDICQOORMKKRYRA-UHFFFAOYSA-N
XLogP1.88
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-2-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 4-cyclobutyl-2-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 141276258) is 4-cyclobutyl-2-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 4-cyclobutyl-2-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 4-cyclobutyl-2-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CCCc1cc(=O)n(C2CCC2)c2nc(C)nn12.
What is the InChIKey of 4-cyclobutyl-2-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is DICQOORMKKRYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-5-11-8-12(18)16(10-6-4-7-10)13-14-9(2)15-17(11)13/h8,10H,3-7H2,1-2H3.
What are the key properties of 4-cyclobutyl-2-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
4-cyclobutyl-2-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 246.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-2-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 141276258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).