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

C8H10N4O — CID 136773977

IUPAC2,6,7-trimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCc1nc2[nH]c(=O)c(C)c(C)n2n1
InChIInChI=1S/C8H10N4O/c1-4-5(2)12-8(10-7(4)13)9-6(3)11-12/h1-3H3,(H,9,10,11,13)
InChIKeyBJUMNOOCGQKBAB-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.34
Rot. Bonds

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

2,6,7-trimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 136773977) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 2,6,7-trimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2,6,7-trimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID136773977
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name2,6,7-trimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCc1nc2[nH]c(=O)c(C)c(C)n2n1
InChIInChI=1S/C8H10N4O/c1-4-5(2)12-8(10-7(4)13)9-6(3)11-12/h1-3H3,(H,9,10,11,13)
InChIKeyBJUMNOOCGQKBAB-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 2,6,7-trimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2,6,7-trimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 136773977) is 2,6,7-trimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2,6,7-trimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2,6,7-trimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is Cc1nc2[nH]c(=O)c(C)c(C)n2n1.
What is the InChIKey of 2,6,7-trimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is BJUMNOOCGQKBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-4-5(2)12-8(10-7(4)13)9-6(3)11-12/h1-3H3,(H,9,10,11,13).
What are the key properties of 2,6,7-trimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
2,6,7-trimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-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 2,6,7-trimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 136773977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).