2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate

C9H9N4O2- — CID 7129138

IUPAC2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCc1nc2ncnn2c(C)c1CC(=O)[O-]
InChIInChI=1S/C9H10N4O2/c1-5-7(3-8(14)15)6(2)13-9(12-5)10-4-11-13/h4H,3H2,1-2H3,(H,14,15)/p-1
InChIKeyOXMKLBYGIXUDJP-UHFFFAOYSA-M
MW205.20 g/mol
LogP-0.97
Rot. Bonds2

About 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate (PubChem CID 7129138) has the molecular formula C9H9N4O2- and a molecular weight of 205.20 g/mol. Its IUPAC name is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate.

Molecular Properties

Compound Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
PubChem CID7129138
Molecular FormulaC9H9N4O2-
Molecular Weight205.20 g/mol
Exact Mass205.07
IUPAC Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCc1nc2ncnn2c(C)c1CC(=O)[O-]
InChIInChI=1S/C9H10N4O2/c1-5-7(3-8(14)15)6(2)13-9(12-5)10-4-11-13/h4H,3H2,1-2H3,(H,14,15)/p-1
InChIKeyOXMKLBYGIXUDJP-UHFFFAOYSA-M
XLogP-0.97
TPSA83.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 5-0.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate?
The IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate (CID 7129138) is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate.
What is the SMILES notation for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate?
The canonical SMILES for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate is Cc1nc2ncnn2c(C)c1CC(=O)[O-].
What is the InChIKey of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate?
The InChIKey is OXMKLBYGIXUDJP-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10N4O2/c1-5-7(3-8(14)15)6(2)13-9(12-5)10-4-11-13/h4H,3H2,1-2H3,(H,14,15)/p-1.
What are the key properties of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate?
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate has a molecular weight of 205.20 g/mol, XLogP of -0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate is sourced from PubChem (CID 7129138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).