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

C15H16N4O2 — CID 1265069

IUPAC2-(phenoxymethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(COc3ccccc3)nc2n1
InChIInChI=1S/C15H16N4O2/c1-2-6-11-9-14(20)19-15(16-11)17-13(18-19)10-21-12-7-4-3-5-8-12/h3-5,7-9H,2,6,10H2,1H3,(H,16,17,18)
InChIKeyKIFXKFGKGQFISJ-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.95
Rot. Bonds5

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

2-(phenoxymethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 1265069) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(phenoxymethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(phenoxymethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID1265069
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-(phenoxymethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(COc3ccccc3)nc2n1
InChIInChI=1S/C15H16N4O2/c1-2-6-11-9-14(20)19-15(16-11)17-13(18-19)10-21-12-7-4-3-5-8-12/h3-5,7-9H,2,6,10H2,1H3,(H,16,17,18)
InChIKeyKIFXKFGKGQFISJ-UHFFFAOYSA-N
XLogP1.95
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(phenoxymethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 1265069) is 2-(phenoxymethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(phenoxymethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(phenoxymethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCCc1cc(=O)n2[nH]c(COc3ccccc3)nc2n1.
What is the InChIKey of 2-(phenoxymethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is KIFXKFGKGQFISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-2-6-11-9-14(20)19-15(16-11)17-13(18-19)10-21-12-7-4-3-5-8-12/h3-5,7-9H,2,6,10H2,1H3,(H,16,17,18).
What are the key properties of 2-(phenoxymethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-(phenoxymethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 284.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 1265069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).