5-(methoxymethyl)-7-(2-pentan-2-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

C16H25N5O — CID 133377071

IUPAC5-(methoxymethyl)-7-(2-pentan-2-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCCC(C)C1CCCN1c1cc(COC)nc2ncnn12
InChIInChI=1S/C16H25N5O/c1-4-6-12(2)14-7-5-8-20(14)15-9-13(10-22-3)19-16-17-11-18-21(15)16/h9,11-12,14H,4-8,10H2,1-3H3
InChIKeyNYNSNLXTHKVGPS-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.68
Rot. Bonds6

About 5-(methoxymethyl)-7-(2-pentan-2-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

5-(methoxymethyl)-7-(2-pentan-2-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 133377071) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 5-(methoxymethyl)-7-(2-pentan-2-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(methoxymethyl)-7-(2-pentan-2-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID133377071
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name5-(methoxymethyl)-7-(2-pentan-2-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCCC(C)C1CCCN1c1cc(COC)nc2ncnn12
InChIInChI=1S/C16H25N5O/c1-4-6-12(2)14-7-5-8-20(14)15-9-13(10-22-3)19-16-17-11-18-21(15)16/h9,11-12,14H,4-8,10H2,1-3H3
InChIKeyNYNSNLXTHKVGPS-UHFFFAOYSA-N
XLogP2.68
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-7-(2-pentan-2-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(methoxymethyl)-7-(2-pentan-2-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 133377071) is 5-(methoxymethyl)-7-(2-pentan-2-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(methoxymethyl)-7-(2-pentan-2-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(methoxymethyl)-7-(2-pentan-2-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is CCCC(C)C1CCCN1c1cc(COC)nc2ncnn12.
What is the InChIKey of 5-(methoxymethyl)-7-(2-pentan-2-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is NYNSNLXTHKVGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-4-6-12(2)14-7-5-8-20(14)15-9-13(10-22-3)19-16-17-11-18-21(15)16/h9,11-12,14H,4-8,10H2,1-3H3.
What are the key properties of 5-(methoxymethyl)-7-(2-pentan-2-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-(methoxymethyl)-7-(2-pentan-2-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 303.41 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-7-(2-pentan-2-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 133377071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).