1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-2-one

C8H8N4O — CID 684192

IUPAC1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-2-one
SMILESCC(=O)Cc1cnc2ncnn2c1
InChIInChI=1S/C8H8N4O/c1-6(13)2-7-3-9-8-10-5-11-12(8)4-7/h3-5H,2H2,1H3
InChIKeyZTGVZFPJFAIQFU-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.26
Rot. Bonds2

About 1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-2-one

1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-2-one (PubChem CID 684192) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-2-one.

Molecular Properties

Compound Name1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-2-one
PubChem CID684192
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-2-one
SMILESCC(=O)Cc1cnc2ncnn2c1
InChIInChI=1S/C8H8N4O/c1-6(13)2-7-3-9-8-10-5-11-12(8)4-7/h3-5H,2H2,1H3
InChIKeyZTGVZFPJFAIQFU-UHFFFAOYSA-N
XLogP0.26
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-2-one?
The IUPAC name of 1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-2-one (CID 684192) is 1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-2-one.
What is the SMILES notation for 1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-2-one?
The canonical SMILES for 1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-2-one is CC(=O)Cc1cnc2ncnn2c1.
What is the InChIKey of 1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-2-one?
The InChIKey is ZTGVZFPJFAIQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-6(13)2-7-3-9-8-10-5-11-12(8)4-7/h3-5H,2H2,1H3.
What are the key properties of 1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-2-one?
1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-2-one has a molecular weight of 176.18 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-2-one is sourced from PubChem (CID 684192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).