5-methyl-7-(2-methylpropoxy)-[1,2,4]triazolo[1,5-a]pyrimidine

C10H14N4O — CID 22948415

IUPAC5-methyl-7-(2-methylpropoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(OCC(C)C)n2ncnc2n1
InChIInChI=1S/C10H14N4O/c1-7(2)5-15-9-4-8(3)13-10-11-6-12-14(9)10/h4,6-7H,5H2,1-3H3
InChIKeyJFWPSIYOFJVVJX-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.47
Rot. Bonds3

About 5-methyl-7-(2-methylpropoxy)-[1,2,4]triazolo[1,5-a]pyrimidine

5-methyl-7-(2-methylpropoxy)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 22948415) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 5-methyl-7-(2-methylpropoxy)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-(2-methylpropoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID22948415
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name5-methyl-7-(2-methylpropoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(OCC(C)C)n2ncnc2n1
InChIInChI=1S/C10H14N4O/c1-7(2)5-15-9-4-8(3)13-10-11-6-12-14(9)10/h4,6-7H,5H2,1-3H3
InChIKeyJFWPSIYOFJVVJX-UHFFFAOYSA-N
XLogP1.47
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(2-methylpropoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-(2-methylpropoxy)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 22948415) is 5-methyl-7-(2-methylpropoxy)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-(2-methylpropoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-(2-methylpropoxy)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(OCC(C)C)n2ncnc2n1.
What is the InChIKey of 5-methyl-7-(2-methylpropoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is JFWPSIYOFJVVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-7(2)5-15-9-4-8(3)13-10-11-6-12-14(9)10/h4,6-7H,5H2,1-3H3.
What are the key properties of 5-methyl-7-(2-methylpropoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-7-(2-methylpropoxy)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 206.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(2-methylpropoxy)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 22948415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).