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

C9H12N4O2 — CID 136773959

IUPAC7-hydroxy-2-methyl-6-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCCc1c(O)n2nc(C)nc2[nH]c1=O
InChIInChI=1S/C9H12N4O2/c1-3-4-6-7(14)11-9-10-5(2)12-13(9)8(6)15/h15H,3-4H2,1-2H3,(H,10,11,12,14)
InChIKeyRHPWQMOCJQXVEL-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.38
Rot. Bonds2

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

7-hydroxy-2-methyl-6-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 136773959) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 7-hydroxy-2-methyl-6-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-hydroxy-2-methyl-6-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID136773959
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name7-hydroxy-2-methyl-6-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCCc1c(O)n2nc(C)nc2[nH]c1=O
InChIInChI=1S/C9H12N4O2/c1-3-4-6-7(14)11-9-10-5(2)12-13(9)8(6)15/h15H,3-4H2,1-2H3,(H,10,11,12,14)
InChIKeyRHPWQMOCJQXVEL-UHFFFAOYSA-N
XLogP0.38
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-methyl-6-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-hydroxy-2-methyl-6-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 136773959) is 7-hydroxy-2-methyl-6-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-hydroxy-2-methyl-6-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-hydroxy-2-methyl-6-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CCCc1c(O)n2nc(C)nc2[nH]c1=O.
What is the InChIKey of 7-hydroxy-2-methyl-6-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is RHPWQMOCJQXVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-3-4-6-7(14)11-9-10-5(2)12-13(9)8(6)15/h15H,3-4H2,1-2H3,(H,10,11,12,14).
What are the key properties of 7-hydroxy-2-methyl-6-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
7-hydroxy-2-methyl-6-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 208.22 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-methyl-6-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 136773959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).