6-fluoro-5-methyl-7-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C12H16FN5 — CID 142415487

IUPAC6-fluoro-5-methyl-7-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncnn2c(CC2CCCNC2)c1F
InChIInChI=1S/C12H16FN5/c1-8-11(13)10(5-9-3-2-4-14-6-9)18-12(17-8)15-7-16-18/h7,9,14H,2-6H2,1H3
InChIKeyOINCXQBKQTYBKQ-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.11
Rot. Bonds2

About 6-fluoro-5-methyl-7-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

6-fluoro-5-methyl-7-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 142415487) has the molecular formula C12H16FN5 and a molecular weight of 249.29 g/mol. Its IUPAC name is 6-fluoro-5-methyl-7-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-fluoro-5-methyl-7-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID142415487
Molecular FormulaC12H16FN5
Molecular Weight249.29 g/mol
Exact Mass249.14
IUPAC Name6-fluoro-5-methyl-7-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncnn2c(CC2CCCNC2)c1F
InChIInChI=1S/C12H16FN5/c1-8-11(13)10(5-9-3-2-4-14-6-9)18-12(17-8)15-7-16-18/h7,9,14H,2-6H2,1H3
InChIKeyOINCXQBKQTYBKQ-UHFFFAOYSA-N
XLogP1.11
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methyl-7-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 6-fluoro-5-methyl-7-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 142415487) is 6-fluoro-5-methyl-7-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-fluoro-5-methyl-7-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-fluoro-5-methyl-7-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2ncnn2c(CC2CCCNC2)c1F.
What is the InChIKey of 6-fluoro-5-methyl-7-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is OINCXQBKQTYBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5/c1-8-11(13)10(5-9-3-2-4-14-6-9)18-12(17-8)15-7-16-18/h7,9,14H,2-6H2,1H3.
What are the key properties of 6-fluoro-5-methyl-7-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
6-fluoro-5-methyl-7-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 249.29 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methyl-7-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 142415487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).