3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid

C11H14N4O2 — CID 65293973

IUPAC3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid
SMILESCc1nc2ncnn2c(C)c1CC(C)C(=O)O
InChIInChI=1S/C11H14N4O2/c1-6(10(16)17)4-9-7(2)14-11-12-5-13-15(11)8(9)3/h5-6H,4H2,1-3H3,(H,16,17)
InChIKeyVMMKFXSHRBQPKD-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.00
Rot. Bonds3

About 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid (PubChem CID 65293973) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid
PubChem CID65293973
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid
SMILESCc1nc2ncnn2c(C)c1CC(C)C(=O)O
InChIInChI=1S/C11H14N4O2/c1-6(10(16)17)4-9-7(2)14-11-12-5-13-15(11)8(9)3/h5-6H,4H2,1-3H3,(H,16,17)
InChIKeyVMMKFXSHRBQPKD-UHFFFAOYSA-N
XLogP1.00
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid (CID 65293973) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid is Cc1nc2ncnn2c(C)c1CC(C)C(=O)O.
What is the InChIKey of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid?
The InChIKey is VMMKFXSHRBQPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-6(10(16)17)4-9-7(2)14-11-12-5-13-15(11)8(9)3/h5-6H,4H2,1-3H3,(H,16,17).
What are the key properties of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid?
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid has a molecular weight of 234.26 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid is sourced from PubChem (CID 65293973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).