2,5,6-trimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C8H10N4O — CID 15123685

IUPAC2,5,6-trimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(C)c(C)c(=O)n2[nH]1
InChIInChI=1S/C8H10N4O/c1-4-5(2)9-8-10-6(3)11-12(8)7(4)13/h1-3H3,(H,9,10,11)
InChIKeyYNZCUSROEREQGV-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.34
Rot. Bonds

About 2,5,6-trimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2,5,6-trimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 15123685) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 2,5,6-trimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2,5,6-trimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID15123685
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name2,5,6-trimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(C)c(C)c(=O)n2[nH]1
InChIInChI=1S/C8H10N4O/c1-4-5(2)9-8-10-6(3)11-12(8)7(4)13/h1-3H3,(H,9,10,11)
InChIKeyYNZCUSROEREQGV-UHFFFAOYSA-N
XLogP0.34
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2,5,6-trimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 15123685) is 2,5,6-trimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2,5,6-trimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2,5,6-trimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1nc2nc(C)c(C)c(=O)n2[nH]1.
What is the InChIKey of 2,5,6-trimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YNZCUSROEREQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-4-5(2)9-8-10-6(3)11-12(8)7(4)13/h1-3H3,(H,9,10,11).
What are the key properties of 2,5,6-trimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2,5,6-trimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 178.19 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 15123685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).