2-methoxy-5-(2-methylpropyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C10H14N4O2 — CID 83096213

IUPAC2-methoxy-5-(2-methylpropyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOc1nc2nc(CC(C)C)cc(=O)n2[nH]1
InChIInChI=1S/C10H14N4O2/c1-6(2)4-7-5-8(15)14-9(11-7)12-10(13-14)16-3/h5-6H,4H2,1-3H3,(H,11,12,13)
InChIKeyPZLZWYQBHSHOBJ-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.62
Rot. Bonds3

About 2-methoxy-5-(2-methylpropyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-methoxy-5-(2-methylpropyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 83096213) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-methoxy-5-(2-methylpropyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methoxy-5-(2-methylpropyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID83096213
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name2-methoxy-5-(2-methylpropyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOc1nc2nc(CC(C)C)cc(=O)n2[nH]1
InChIInChI=1S/C10H14N4O2/c1-6(2)4-7-5-8(15)14-9(11-7)12-10(13-14)16-3/h5-6H,4H2,1-3H3,(H,11,12,13)
InChIKeyPZLZWYQBHSHOBJ-UHFFFAOYSA-N
XLogP0.62
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(2-methylpropyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methoxy-5-(2-methylpropyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 83096213) is 2-methoxy-5-(2-methylpropyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methoxy-5-(2-methylpropyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methoxy-5-(2-methylpropyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is COc1nc2nc(CC(C)C)cc(=O)n2[nH]1.
What is the InChIKey of 2-methoxy-5-(2-methylpropyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PZLZWYQBHSHOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-6(2)4-7-5-8(15)14-9(11-7)12-10(13-14)16-3/h5-6H,4H2,1-3H3,(H,11,12,13).
What are the key properties of 2-methoxy-5-(2-methylpropyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-methoxy-5-(2-methylpropyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 222.25 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(2-methylpropyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 83096213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).