7-cyclobutyl-3-methyltriazolo[1,5-a]pyrimidine-6-carboxylic acid

C11H12N4O2 — CID 105490630

IUPAC7-cyclobutyl-3-methyltriazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1nnn2c(C3CCC3)c(C(=O)O)cnc12
InChIInChI=1S/C11H12N4O2/c1-6-10-12-5-8(11(16)17)9(7-3-2-4-7)15(10)14-13-6/h5,7H,2-4H2,1H3,(H,16,17)
InChIKeyNGOZVJQQTHDLEF-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.40
Rot. Bonds2

About 7-cyclobutyl-3-methyltriazolo[1,5-a]pyrimidine-6-carboxylic acid

7-cyclobutyl-3-methyltriazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 105490630) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 7-cyclobutyl-3-methyltriazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name7-cyclobutyl-3-methyltriazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID105490630
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name7-cyclobutyl-3-methyltriazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1nnn2c(C3CCC3)c(C(=O)O)cnc12
InChIInChI=1S/C11H12N4O2/c1-6-10-12-5-8(11(16)17)9(7-3-2-4-7)15(10)14-13-6/h5,7H,2-4H2,1H3,(H,16,17)
InChIKeyNGOZVJQQTHDLEF-UHFFFAOYSA-N
XLogP1.40
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-cyclobutyl-3-methyltriazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 7-cyclobutyl-3-methyltriazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 105490630) is 7-cyclobutyl-3-methyltriazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 7-cyclobutyl-3-methyltriazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 7-cyclobutyl-3-methyltriazolo[1,5-a]pyrimidine-6-carboxylic acid is Cc1nnn2c(C3CCC3)c(C(=O)O)cnc12.
What is the InChIKey of 7-cyclobutyl-3-methyltriazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is NGOZVJQQTHDLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-6-10-12-5-8(11(16)17)9(7-3-2-4-7)15(10)14-13-6/h5,7H,2-4H2,1H3,(H,16,17).
What are the key properties of 7-cyclobutyl-3-methyltriazolo[1,5-a]pyrimidine-6-carboxylic acid?
7-cyclobutyl-3-methyltriazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclobutyl-3-methyltriazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 105490630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).