2-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

C11H15N5 — CID 140670129

IUPAC2-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC1CCN(c2nc3ncccn3n2)CC1
InChIInChI=1S/C11H15N5/c1-9-3-7-15(8-4-9)11-13-10-12-5-2-6-16(10)14-11/h2,5-6,9H,3-4,7-8H2,1H3
InChIKeyCUZCNZAWANWPJV-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.36
Rot. Bonds1

About 2-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

2-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 140670129) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID140670129
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name2-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC1CCN(c2nc3ncccn3n2)CC1
InChIInChI=1S/C11H15N5/c1-9-3-7-15(8-4-9)11-13-10-12-5-2-6-16(10)14-11/h2,5-6,9H,3-4,7-8H2,1H3
InChIKeyCUZCNZAWANWPJV-UHFFFAOYSA-N
XLogP1.36
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 140670129) is 2-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is CC1CCN(c2nc3ncccn3n2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is CUZCNZAWANWPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-9-3-7-15(8-4-9)11-13-10-12-5-2-6-16(10)14-11/h2,5-6,9H,3-4,7-8H2,1H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
2-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 217.28 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 140670129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).