2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C8H10N4O — CID 178003967

IUPAC2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1nc2nccc(=O)n2[nH]1
InChIInChI=1S/C8H10N4O/c1-5(2)7-10-8-9-4-3-6(13)12(8)11-7/h3-5H,1-2H3,(H,9,10,11)
InChIKeyWKAVYARUKOPFNP-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.54
Rot. Bonds1

About 2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 178003967) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID178003967
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1nc2nccc(=O)n2[nH]1
InChIInChI=1S/C8H10N4O/c1-5(2)7-10-8-9-4-3-6(13)12(8)11-7/h3-5H,1-2H3,(H,9,10,11)
InChIKeyWKAVYARUKOPFNP-UHFFFAOYSA-N
XLogP0.54
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 178003967) is 2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC(C)c1nc2nccc(=O)n2[nH]1.
What is the InChIKey of 2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WKAVYARUKOPFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-5(2)7-10-8-9-4-3-6(13)12(8)11-7/h3-5H,1-2H3,(H,9,10,11).
What are the key properties of 2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 178.19 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 178003967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).