2-phenyl-5-(propan-2-yloxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C15H16N4O2 — CID 123839776

IUPAC2-phenyl-5-(propan-2-yloxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)OCc1cc(=O)n2[nH]c(-c3ccccc3)nc2n1
InChIInChI=1S/C15H16N4O2/c1-10(2)21-9-12-8-13(20)19-15(16-12)17-14(18-19)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,16,17,18)
InChIKeyPMPDAYVTZASTRM-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.01
Rot. Bonds4

About 2-phenyl-5-(propan-2-yloxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-phenyl-5-(propan-2-yloxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 123839776) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-phenyl-5-(propan-2-yloxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-phenyl-5-(propan-2-yloxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID123839776
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-phenyl-5-(propan-2-yloxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)OCc1cc(=O)n2[nH]c(-c3ccccc3)nc2n1
InChIInChI=1S/C15H16N4O2/c1-10(2)21-9-12-8-13(20)19-15(16-12)17-14(18-19)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,16,17,18)
InChIKeyPMPDAYVTZASTRM-UHFFFAOYSA-N
XLogP2.01
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(propan-2-yloxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-phenyl-5-(propan-2-yloxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 123839776) is 2-phenyl-5-(propan-2-yloxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-phenyl-5-(propan-2-yloxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-phenyl-5-(propan-2-yloxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC(C)OCc1cc(=O)n2[nH]c(-c3ccccc3)nc2n1.
What is the InChIKey of 2-phenyl-5-(propan-2-yloxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PMPDAYVTZASTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-10(2)21-9-12-8-13(20)19-15(16-12)17-14(18-19)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,16,17,18).
What are the key properties of 2-phenyl-5-(propan-2-yloxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-phenyl-5-(propan-2-yloxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 284.32 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(propan-2-yloxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 123839776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).