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

C9H10N4O2 — CID 774409

IUPAC2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid
SMILESCc1cc(C)n2nc(CC(=O)O)nc2n1
InChIInChI=1S/C9H10N4O2/c1-5-3-6(2)13-9(10-5)11-7(12-13)4-8(14)15/h3H,4H2,1-2H3,(H,14,15)
InChIKeyPFEYZNRDVANGLJ-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.37
Rot. Bonds2

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

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid (PubChem CID 774409) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid
PubChem CID774409
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid
SMILESCc1cc(C)n2nc(CC(=O)O)nc2n1
InChIInChI=1S/C9H10N4O2/c1-5-3-6(2)13-9(10-5)11-7(12-13)4-8(14)15/h3H,4H2,1-2H3,(H,14,15)
InChIKeyPFEYZNRDVANGLJ-UHFFFAOYSA-N
XLogP0.37
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-2-yl)acetic acid?
The IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid (CID 774409) is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid.
What is the SMILES notation for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid?
The canonical SMILES for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid is Cc1cc(C)n2nc(CC(=O)O)nc2n1.
What is the InChIKey of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid?
The InChIKey is PFEYZNRDVANGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-5-3-6(2)13-9(10-5)11-7(12-13)4-8(14)15/h3H,4H2,1-2H3,(H,14,15).
What are the key properties of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid?
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid has a molecular weight of 206.20 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid is sourced from PubChem (CID 774409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).