3-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyrimidine

C12H17N5 — CID 62216041

IUPAC3-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESc1cnc2nnc(CCC3CCNCC3)n2c1
InChIInChI=1S/C12H17N5/c1-6-14-12-16-15-11(17(12)9-1)3-2-10-4-7-13-8-5-10/h1,6,9-10,13H,2-5,7-8H2
InChIKeyDULNSNIEJVYQQV-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.06
Rot. Bonds3

About 3-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyrimidine

3-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyrimidine (PubChem CID 62216041) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyrimidine.

Molecular Properties

Compound Name3-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyrimidine
PubChem CID62216041
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name3-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESc1cnc2nnc(CCC3CCNCC3)n2c1
InChIInChI=1S/C12H17N5/c1-6-14-12-16-15-11(17(12)9-1)3-2-10-4-7-13-8-5-10/h1,6,9-10,13H,2-5,7-8H2
InChIKeyDULNSNIEJVYQQV-UHFFFAOYSA-N
XLogP1.06
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyrimidine?
The IUPAC name of 3-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyrimidine (CID 62216041) is 3-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyrimidine.
What is the SMILES notation for 3-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyrimidine?
The canonical SMILES for 3-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyrimidine is c1cnc2nnc(CCC3CCNCC3)n2c1.
What is the InChIKey of 3-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyrimidine?
The InChIKey is DULNSNIEJVYQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-6-14-12-16-15-11(17(12)9-1)3-2-10-4-7-13-8-5-10/h1,6,9-10,13H,2-5,7-8H2.
What are the key properties of 3-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyrimidine?
3-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyrimidine has a molecular weight of 231.30 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyrimidine is sourced from PubChem (CID 62216041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).