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

C9H10N4O2 — CID 4962380

IUPAC2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid
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)
InChIKeyOXMKLBYGIXUDJP-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.37
Rot. Bonds2

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

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid (PubChem CID 4962380) 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-6-yl)acetic acid.

Molecular Properties

Compound Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid
PubChem CID4962380
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid
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)
InChIKeyOXMKLBYGIXUDJP-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-6-yl)acetic acid?
The IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid (CID 4962380) is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid.
What is the SMILES notation for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The canonical SMILES for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid 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)acetic acid?
The InChIKey is OXMKLBYGIXUDJP-UHFFFAOYSA-N. 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).
What are the key properties of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid?
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-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-6-yl)acetic acid is sourced from PubChem (CID 4962380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).