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

C9H10N4O — CID 666677

IUPAC1-(2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
SMILESCC(=O)c1cnc2nc(C)nn2c1C
InChIInChI=1S/C9H10N4O/c1-5-8(6(2)14)4-10-9-11-7(3)12-13(5)9/h4H,1-3H3
InChIKeyWWUXRAWFAFPGPY-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.94
Rot. Bonds1

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

1-(2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone (PubChem CID 666677) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 1-(2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone.

Molecular Properties

Compound Name1-(2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
PubChem CID666677
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name1-(2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
SMILESCC(=O)c1cnc2nc(C)nn2c1C
InChIInChI=1S/C9H10N4O/c1-5-8(6(2)14)4-10-9-11-7(3)12-13(5)9/h4H,1-3H3
InChIKeyWWUXRAWFAFPGPY-UHFFFAOYSA-N
XLogP0.94
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
The IUPAC name of 1-(2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone (CID 666677) is 1-(2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone.
What is the SMILES notation for 1-(2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
The canonical SMILES for 1-(2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone is CC(=O)c1cnc2nc(C)nn2c1C.
What is the InChIKey of 1-(2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
The InChIKey is WWUXRAWFAFPGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-5-8(6(2)14)4-10-9-11-7(3)12-13(5)9/h4H,1-3H3.
What are the key properties of 1-(2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
1-(2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone has a molecular weight of 190.21 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone is sourced from PubChem (CID 666677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).