2,3-di(propan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-one

C11H16N4O — CID 90442274

IUPAC2,3-di(propan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-one
SMILESCC(C)c1nc2ccnn2c(=O)n1C(C)C
InChIInChI=1S/C11H16N4O/c1-7(2)10-13-9-5-6-12-15(9)11(16)14(10)8(3)4/h5-8H,1-4H3
InChIKeyAJJQYVMPUKGQIJ-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.60
Rot. Bonds2

About 2,3-di(propan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-one

2,3-di(propan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-one (PubChem CID 90442274) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2,3-di(propan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-one
PubChem CID90442274
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2,3-di(propan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-one
SMILESCC(C)c1nc2ccnn2c(=O)n1C(C)C
InChIInChI=1S/C11H16N4O/c1-7(2)10-13-9-5-6-12-15(9)11(16)14(10)8(3)4/h5-8H,1-4H3
InChIKeyAJJQYVMPUKGQIJ-UHFFFAOYSA-N
XLogP1.60
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-one?
The IUPAC name of 2,3-di(propan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-one (CID 90442274) is 2,3-di(propan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2,3-di(propan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-one?
The canonical SMILES for 2,3-di(propan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-one is CC(C)c1nc2ccnn2c(=O)n1C(C)C.
What is the InChIKey of 2,3-di(propan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-one?
The InChIKey is AJJQYVMPUKGQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-7(2)10-13-9-5-6-12-15(9)11(16)14(10)8(3)4/h5-8H,1-4H3.
What are the key properties of 2,3-di(propan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-one?
2,3-di(propan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-one has a molecular weight of 220.28 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-one is sourced from PubChem (CID 90442274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).