2,5,6-trimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C9H11N3O — CID 1485029

IUPAC2,5,6-trimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(C)c(C)c(=O)n2[nH]1
InChIInChI=1S/C9H11N3O/c1-5-4-8-10-7(3)6(2)9(13)12(8)11-5/h4,11H,1-3H3
InChIKeyGHEDLYVPQVRUSJ-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.95
Rot. Bonds

About 2,5,6-trimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2,5,6-trimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 1485029) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2,5,6-trimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2,5,6-trimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID1485029
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2,5,6-trimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(C)c(C)c(=O)n2[nH]1
InChIInChI=1S/C9H11N3O/c1-5-4-8-10-7(3)6(2)9(13)12(8)11-5/h4,11H,1-3H3
InChIKeyGHEDLYVPQVRUSJ-UHFFFAOYSA-N
XLogP0.95
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2,5,6-trimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 1485029) is 2,5,6-trimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2,5,6-trimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2,5,6-trimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2nc(C)c(C)c(=O)n2[nH]1.
What is the InChIKey of 2,5,6-trimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GHEDLYVPQVRUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-5-4-8-10-7(3)6(2)9(13)12(8)11-5/h4,11H,1-3H3.
What are the key properties of 2,5,6-trimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2,5,6-trimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 177.21 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 1485029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).