1-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone

C14H14N4O — CID 5070088

IUPAC1-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
SMILESCC(=O)C1=C(C)Nc2ncnn2C1c1ccccc1
InChIInChI=1S/C14H14N4O/c1-9-12(10(2)19)13(11-6-4-3-5-7-11)18-14(17-9)15-8-16-18/h3-8,13H,1-2H3,(H,15,16,17)
InChIKeyBLBILLUBCQOFPW-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.16
Rot. Bonds2

About 1-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone

1-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone (PubChem CID 5070088) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
PubChem CID5070088
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name1-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
SMILESCC(=O)C1=C(C)Nc2ncnn2C1c1ccccc1
InChIInChI=1S/C14H14N4O/c1-9-12(10(2)19)13(11-6-4-3-5-7-11)18-14(17-9)15-8-16-18/h3-8,13H,1-2H3,(H,15,16,17)
InChIKeyBLBILLUBCQOFPW-UHFFFAOYSA-N
XLogP2.16
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
The IUPAC name of 1-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone (CID 5070088) is 1-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
The canonical SMILES for 1-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone is CC(=O)C1=C(C)Nc2ncnn2C1c1ccccc1.
What is the InChIKey of 1-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
The InChIKey is BLBILLUBCQOFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9-12(10(2)19)13(11-6-4-3-5-7-11)18-14(17-9)15-8-16-18/h3-8,13H,1-2H3,(H,15,16,17).
What are the key properties of 1-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
1-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone has a molecular weight of 254.29 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone is sourced from PubChem (CID 5070088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).